4-(2-oxidanylideneethyl)-2-[phenyl(propan-2-yl)amino]-3-piperazin-1-yl-benzoic acid

Systemtic Name: 4-(2-oxidanylideneethyl)-2-[phenyl(propan-2-yl)amino]-3-piperazin-1-yl-benzoic acid Openeye Name: 2-(N-isopropylanilino)-4-(2-oxoethyl)-3-piperazin-1-yl-benzoic acid CAS Name: 4-(2-oxoethyl)-3-(1-piperazinyl)-2-(N-propan-2-ylanilino)benzoic acid IUPAC Name: 4-(2-oxoethyl)-3-piperazin-1-yl-2-(N-propan-2-ylanilino)benzoic acid Traditional Name: 2-(N-isopropylanilino)-4-(2-ketoethyl)-3-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)C2=C(C=CC(=C2N3CCNCC3)CC=O)C(=O)O

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=C(C=CC(=C2N3CCNCC3)CC=O)C(=O)O

InChI

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