ethenyl (1S)-1-cyano-1-methyl-6,7-bis(phenylcarbonyloxy)isoquinoline-2-carboxylate

Systemtic Name: ethenyl (1S)-1-cyano-1-methyl-6,7-bis(phenylcarbonyloxy)isoquinoline-2-carboxylate Openeye Name: vinyl (1S)-6,7-dibenzoyloxy-1-cyano-1-methyl-isoquinoline-2-carboxylate CAS Name: (1S)-6,7-dibenzoyloxy-1-cyano-1-methyl-2-isoquinolinecarboxylic acid ethenyl ester IUPAC Name: ethenyl (1S)-6,7-dibenzoyloxy-1-cyano-1-methylisoquinoline-2-carboxylate Traditional Name: (1S)-6,7-dibenzoyloxy-1-cyano-1-methyl-isoquinoline-2-carboxylic acid vinyl ester Formula: C28H20N2O6 MolecularWeight: 480.4682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2C=CN1C(=O)OC=C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C[C@]1(C2=CC(=C(C=C2C=CN1C(=O)OC=C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H20N2O6/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/h3-17H,1H2,2H3/t28-/m1/s1