methyl 4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-[(3S)-3-[4-(3-chlorophenyl)piperazino]piperidino]-4-keto-butyric acid methyl ester Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)CCC(=O)N1CCC[C@@H](C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H28ClN3O3/c1-27-20(26)8-7-19(25)24-9-3-6-18(15-24)23-12-10-22(11-13-23)17-5-2-4-16(21)14-17/h2,4-5,14,18H,3,6-13,15H2,1H3/t18-/m0/s1