[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H23ClN2O4/c1-16-13-14-19(15-22(16)28)29-25(31)17(2)34-27(33)24-23(18-9-5-4-6-10-18)20-11-7-8-12-21(20)26(32)30(24)3/h4-15,17H,1-3H3,(H,29,31)