(phenylmethyl) N-[(2S,3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2R)-2-benzyloxy-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)propyl]carbamate CAS Name: N-[(2S,3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxybutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-2-benzoxy-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)propyl]carbamic acid benzyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4/c1-21(33-19-22-10-4-2-5-11-22)26(29-28(32)34-20-23-12-6-3-7-13-23)27(31)30-17-16-24-14-8-9-15-25(24)18-30/h2-15,21,26H,16-20H2,1H3,(H,29,32)/t21-,26+/m1/s1