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

Systemtic Name: 3-azanyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzoic acid CAS Name: 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzoic acid IUPAC Name: 3-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoic acid Traditional Name: 3-amino-4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]benzoic acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)C(=O)O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)C(=O)O)N

InChI

InChI=1S/C20H22ClN3O4/c21-16-4-1-14(2-5-16)12-23-7-9-24(10-8-23)19(25)13-28-18-6-3-15(20(26)27)11-17(18)22/h1-6,11H,7-10,12-13,22H2,(H,26,27)