methyl (3S)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]butanoate

Systemtic Name: methyl (3S)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]butanoate Openeye Name: methyl (3S)-3-(4-benzyl-1-piperidyl)-4-(2-nitroanilino)-4-oxo-butanoate CAS Name: (3S)-4-(2-nitroanilino)-4-oxo-3-[4-(phenylmethyl)-1-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-benzylpiperidin-1-yl)-4-(2-nitroanilino)-4-oxobutanoate Traditional Name: (3S)-3-(4-benzylpiperidino)-4-keto-4-(2-nitroanilino)butyric acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c1-31-22(27)16-21(23(28)24-19-9-5-6-10-20(19)26(29)30)25-13-11-18(12-14-25)15-17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3,(H,24,28)/t21-/m0/s1