methyl 3-azanyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-azanyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 3-amino-4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H24ClN3O4/c1-28-21(27)16-4-7-19(18(23)12-16)29-14-20(26)25-10-8-24(9-11-25)13-15-2-5-17(22)6-3-15/h2-7,12H,8-11,13-14,23H2,1H3