tert-butyl N-[(2S)-1-[(1R)-7,8-dimethoxy-6-methyl-4-oxidanylidene-1-(phenylmethoxymethyl)-5-prop-2-enoxy-1,3-dihydroisoquinolin-2-yl]-3-(2-methanoyl-4-methoxy-5-methyl-3-phenylmethoxy-phenyl)-1-oxidanylidene-propan-2-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(1R)-7,8-dimethoxy-6-methyl-4-oxidanylidene-1-(phenylmethoxymethyl)-5-prop-2-enoxy-1,3-dihydroisoquinolin-2-yl]-3-(2-methanoyl-4-methoxy-5-methyl-3-phenylmethoxy-phenyl)-1-oxidanylidene-propan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[(1S)-2-[(1R)-5-allyloxy-1-(benzyloxymethyl)-7,8-dimethoxy-6-methyl-4-oxo-1,3-dihydroisoquinolin-2-yl]-1-[(3-benzyloxy-2-formyl-4-methoxy-5-methyl-phenyl)methyl]-2-oxo-ethyl]-N-methyl-carbamate CAS Name: N-[(2S)-1-[(1R)-7,8-dimethoxy-6-methyl-4-oxo-1-(phenylmethoxymethyl)-5-prop-2-enoxy-1,3-dihydroisoquinolin-2-yl]-3-(2-formyl-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-1-oxopropan-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(1R)-7,8-dimethoxy-6-methyl-4-oxo-1-(phenylmethoxymethyl)-5-prop-2-enoxy-1,3-dihydroisoquinolin-2-yl]-3-(2-formyl-4-methoxy-5-methyl-3-phenylmethoxyphenyl)-1-oxopropan-2-yl]-N-methylcarbamate Traditional Name: N-[(1S)-2-[(1R)-5-allyloxy-1-(benzoxymethyl)-4-keto-7,8-dimethoxy-6-methyl-1,3-dihydroisoquinolin-2-yl]-1-(3-benzoxy-2-formyl-4-methoxy-5-methyl-benzyl)-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C48H56N2O11 MolecularWeight: 836.96504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)CC(C(=O)N2CC(=O)C3=C(C2COCC4=CC=CC=C4)C(=C(C(=C3OCC=C)C)OC)OC)N(C)C(=O)OC(C)(C)C)C=O)OCC5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1)C[C@@H](C(=O)N2CC(=O)C3=C([C@@H]2COCC4=CC=CC=C4)C(=C(C(=C3OCC=C)C)OC)OC)N(C)C(=O)OC(C)(C)C)C=O)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C48H56N2O11/c1-11-22-59-42-31(3)43(56-9)45(57-10)39-37(29-58-27-32-18-14-12-15-19-32)50(25-38(52)40(39)42)46(53)36(49(7)47(54)61-48(4,5)6)24-34-23-30(2)41(55-8)44(35(34)26-51)60-28-33-20-16-13-17-21-33/h11-21,23,26,36-37H,1,22,24-25,27-29H2,2-10H3/t36-,37-/m0/s1