methyl 4-[[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H30N2O5/c1-4-5-16-27-22(28)15-14-21(23(27)17-8-12-20(31-2)13-9-17)24(29)26-19-10-6-18(7-11-19)25(30)32-3/h6-13,21,23H,4-5,14-16H2,1-3H3,(H,26,29)/t21-,23-/m0/s1