methyl 4-[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-(4-methoxyanilino)-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-methoxyanilino)-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(3S)-3-(p-anisidino)piperidino]butyric acid methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)CCC(=O)OC

InChI

InChI=1S/C17H24N2O4/c1-22-15-7-5-13(6-8-15)18-14-4-3-11-19(12-14)16(20)9-10-17(21)23-2/h5-8,14,18H,3-4,9-12H2,1-2H3/t14-/m0/s1