ethyl (1S)-1-cyano-1-methyl-6,7-bis(phenylcarbonyloxy)-3,4-dihydroisoquinoline-2-carboxylate

Systemtic Name: ethyl (1S)-1-cyano-1-methyl-6,7-bis(phenylcarbonyloxy)-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: ethyl (1S)-6,7-dibenzoyloxy-1-cyano-1-methyl-3,4-dihydroisoquinoline-2-carboxylate CAS Name: (1S)-6,7-dibenzoyloxy-1-cyano-1-methyl-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S)-6,7-dibenzoyloxy-1-cyano-1-methyl-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: (1S)-6,7-dibenzoyloxy-1-cyano-1-methyl-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1(C)C#N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2[C@@]1(C)C#N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H24N2O6/c1-3-34-27(33)30-15-14-21-16-23(35-25(31)19-10-6-4-7-11-19)24(17-22(21)28(30,2)18-29)36-26(32)20-12-8-5-9-13-20/h4-13,16-17H,3,14-15H2,1-2H3/t28-/m1/s1