2-[2-oxidanylidene-2-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]ethyl]benzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]ethyl]benzoic acid Openeye Name: 2-[2-oxo-2-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]ethyl]benzoic acid CAS Name: 2-[2-oxo-2-[[4-(3-oxo-1-piperazinyl)phenyl]methylamino]ethyl]benzoic acid IUPAC Name: 2-[2-oxo-2-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]ethyl]benzoic acid Traditional Name: 2-[2-keto-2-[[4-(3-ketopiperazino)benzyl]amino]ethyl]benzoic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21N3O4/c24-18(11-15-3-1-2-4-17(15)20(26)27)22-12-14-5-7-16(8-6-14)23-10-9-21-19(25)13-23/h1-8H,9-13H2,(H,21,25)(H,22,24)(H,26,27)