3-[(4-chlorophenyl)carbonylamino]-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(4-chlorobenzoyl)amino]-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-chlorobenzoyl)amino]-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(4-chlorobenzoyl)amino]-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]benzoic acid Formula: C24H27ClN4O4 MolecularWeight: 470.94858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O4/c25-19-6-3-17(4-7-19)23(31)26-20-15-18(24(32)33)5-8-21(20)28-13-11-27(12-14-28)16-22(30)29-9-1-2-10-29/h3-8,15H,1-2,9-14,16H2,(H,26,31)(H,32,33)