methyl 2-[1-[1-cyano-2-(2-methylphenyl)carbonyl-isoquinolin-1-yl]ethyl]benzoate

Systemtic Name: methyl 2-[1-[1-cyano-2-(2-methylphenyl)carbonyl-isoquinolin-1-yl]ethyl]benzoate Openeye Name: methyl 2-[1-[1-cyano-2-(2-methylbenzoyl)-1-isoquinolyl]ethyl]benzoate CAS Name: 2-[1-[1-cyano-2-[(2-methylphenyl)-oxomethyl]-1-isoquinolinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[1-cyano-2-(2-methylbenzoyl)isoquinolin-1-yl]ethyl]benzoate Traditional Name: 2-[1-(1-cyano-2-o-toluoyl-1-isoquinolyl)ethyl]benzoic acid methyl ester Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H24N2O3/c1-19-10-4-6-12-22(19)26(31)30-17-16-21-11-5-9-15-25(21)28(30,18-29)20(2)23-13-7-8-14-24(23)27(32)33-3/h4-17,20H,1-3H3