4-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[benzyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-4-oxo-but-2-enoic acid CAS Name: 4-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[benzyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-4-oxobut-2-enoic acid Traditional Name: 4-[benzyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]amino]-4-keto-but-2-enoic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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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)C=CC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4/c1-15-8-9-18-12-19(23(29)24-22(18)16(15)2)14-25(20(26)10-11-21(27)28)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,24,29)(H,27,28)