methyl 2-[[(3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(3S)-1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-1-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)nipecotoyl]amino]benzoic acid methyl ester Formula: C29H26ClN3O4 MolecularWeight: 515.98744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26ClN3O4/c1-37-29(36)21-11-5-6-12-23(21)31-27(34)19-10-7-15-33(17-19)26-25(18-8-3-2-4-9-18)22-16-20(30)13-14-24(22)32-28(26)35/h2-6,8-9,11-14,16,19H,7,10,15,17H2,1H3,(H,31,34)(H,32,35)/t19-/m0/s1