4-[4-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(N-isopropylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(N-isopropylanilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H27N3O3/c1-17(2)25(20-6-4-3-5-7-20)21(26)16-23-12-14-24(15-13-23)19-10-8-18(9-11-19)22(27)28/h3-11,17H,12-16H2,1-2H3,(H,27,28)