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

Systemtic Name: methyl 4-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidino]butyric acid methyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)C(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCCN(C3)C(=O)CCC(=O)OC

InChI

InChI=1S/C21H31N3O4/c1-27-19-7-5-17(6-8-19)22-12-14-23(15-13-22)18-4-3-11-24(16-18)20(25)9-10-21(26)28-2/h5-8,18H,3-4,9-16H2,1-2H3/t18-/m0/s1