prop-2-enyl N-[(2S)-1-cyano-1-[(7S,9R)-6-cyano-7,9-bis(hydroxymethyl)-4-methyl-5-prop-2-enoxy-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinolin-8-yl]-3-(4-methoxy-3-methyl-5-prop-2-enoxy-phenyl)propan-2-yl]carbamate

Systemtic Name: prop-2-enyl N-[(2S)-1-cyano-1-[(7S,9R)-6-cyano-7,9-bis(hydroxymethyl)-4-methyl-5-prop-2-enoxy-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinolin-8-yl]-3-(4-methoxy-3-methyl-5-prop-2-enoxy-phenyl)propan-2-yl]carbamate Openeye Name: allyl N-[(1S)-2-[(7S,9R)-5-allyloxy-6-cyano-7,9-bis(hydroxymethyl)-4-methyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinolin-8-yl]-1-[(3-allyloxy-4-methoxy-5-methyl-phenyl)methyl]-2-cyano-ethyl]carbamate CAS Name: N-[(2S)-1-cyano-1-[(7S,9R)-6-cyano-7,9-bis(hydroxymethyl)-4-methyl-5-prop-2-enoxy-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinolin-8-yl]-3-(4-methoxy-3-methyl-5-prop-2-enoxyphenyl)propan-2-yl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[(2S)-1-cyano-1-[(7S,9R)-6-cyano-7,9-bis(hydroxymethyl)-4-methyl-5-prop-2-enoxy-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinolin-8-yl]-3-(4-methoxy-3-methyl-5-prop-2-enoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-[(7S,9R)-5-allyloxy-6-cyano-4-methyl-7,9-dimethylol-7,9-dihydro-6H-[1,3]dioxol[4,5-h]isoquinolin-8-yl]-1-(3-allyloxy-4-methoxy-5-methyl-benzyl)-2-cyano-ethyl]carbamic acid allyl ester Formula: C36H42N4O9 MolecularWeight: 674.74008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(C#N)N2C(C(C3=C(C2CO)C4=C(C(=C3OCC=C)C)OCO4)C#N)CO)NC(=O)OCC=C)OCC=C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@@H](C(C#N)N2[C@@H](C(C3=C([C@@H]2CO)C4=C(C(=C3OCC=C)C)OCO4)C#N)CO)NC(=O)OCC=C)OCC=C)OC

InChI

InChI=1S/C36H42N4O9/c1-7-10-45-29-15-23(13-21(4)32(29)44-6)14-25(39-36(43)47-12-9-3)26(17-38)40-27(18-41)24(16-37)30-31(28(40)19-42)35-34(48-20-49-35)22(5)33(30)46-11-8-2/h7-9,13,15,24-28,41-42H,1-3,10-12,14,18-20H2,4-6H3,(H,39,43)/t24?,25-,26?,27+,28-/m0/s1