[2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]ethyl] ester Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C23H27ClN2O4/c1-29-20-10-8-17(9-11-20)21(26-12-3-2-4-13-26)15-25-22(27)16-30-23(28)18-6-5-7-19(24)14-18/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,25,27)