3-[[(2S,4S)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]carbonyl]benzoic acid

Systemtic Name: 3-[[(2S,4S)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]carbonyl]benzoic acid Openeye Name: 3-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]benzoic acid CAS Name: 3-[[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-oxomethyl]benzoic acid IUPAC Name: 3-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]benzoic acid Traditional Name: 3-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]benzoic acid Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[C@@H](C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3/c1-16-14-21(25-19-10-3-2-4-11-19)20-12-5-6-13-22(20)26(16)23(27)17-8-7-9-18(15-17)24(28)29/h2-13,15-16,21,25H,14H2,1H3,(H,28,29)/t16-,21-/m0/s1