[4-[2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl] 4-azanylbenzoate

Systemtic Name: [4-[2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl] 4-azanylbenzoate Openeye Name: [4-[2-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]-2-oxo-ethyl]phenyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [4-[2-[4-(2-amino-2-oxoethyl)-1-piperazinyl]-2-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]phenyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [4-[2-[4-(2-amino-2-keto-ethyl)piperazino]-2-keto-ethyl]phenyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N)C(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CCN1CC(=O)N)C(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H24N4O4/c22-17-5-3-16(4-6-17)21(28)29-18-7-1-15(2-8-18)13-20(27)25-11-9-24(10-12-25)14-19(23)26/h1-8H,9-14,22H2,(H2,23,26)