[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H25ClN2O4/c1-28-20-13-19(24)18(23)12-17(20)22(27)29-14-21(26)25-9-7-16(8-10-25)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11,14,24H2,1H3