4-[4-[[(2R,4S)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]carbonyl]phenyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[[(2R,4S)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]carbonyl]phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]piperidine-1-carboxylic acid CAS Name: 4-[4-[[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-oxomethyl]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]piperidine-1-carboxylic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C4CCN(CC4)C(=O)O)NC5=CC=CC=C5

Isomeric SMILES

C[C@@H]1C[C@@H](C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C4CCN(CC4)C(=O)O)NC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-20-19-26(30-24-7-3-2-4-8-24)25-9-5-6-10-27(25)32(20)28(33)23-13-11-21(12-14-23)22-15-17-31(18-16-22)29(34)35/h2-14,20,22,26,30H,15-19H2,1H3,(H,34,35)/t20-,26+/m1/s1