methyl 2-[(3S)-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]piperidin-3-yl]ethanoate

Systemtic Name: methyl 2-[(3S)-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]piperidin-3-yl]ethanoate Openeye Name: methyl 2-[(3S)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-piperidyl]acetate CAS Name: 2-[(3S)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]piperidin-3-yl]acetate Traditional Name: 2-[(3S)-1-[2-keto-2-(4-phenoxyanilino)ethyl]-3-piperidyl]acetic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCN(C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@@H]1CCCN(C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4/c1-27-22(26)14-17-6-5-13-24(15-17)16-21(25)23-18-9-11-20(12-10-18)28-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,23,25)/t17-/m0/s1