4-(3,4-dimethylphenyl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 4-(3,4-dimethylphenyl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-4-(3,4-dimethylphenyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(3,4-dimethylphenyl)-1-oxo-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-4-(3,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-4-(3,4-dimethylphenyl)-1-keto-isoquinoline-3-carboxylic acid Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H21NO3/c1-16-12-13-19(14-17(16)2)22-20-10-6-7-11-21(20)24(27)26(23(22)25(28)29)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,29)