2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamoyl]benzoic acid Openeye Name: 2-[benzyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]benzoic acid CAS Name: 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[benzyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamoyl]benzoic acid Traditional Name: 2-[benzyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]carbamoyl]benzoic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C27H24N2O4/c1-17-12-13-20-14-21(25(30)28-24(20)18(17)2)16-29(15-19-8-4-3-5-9-19)26(31)22-10-6-7-11-23(22)27(32)33/h3-14H,15-16H2,1-2H3,(H,28,30)(H,32,33)