2-(4-methylpiperazin-1-yl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoic acid

Systemtic Name: 2-(4-methylpiperazin-1-yl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoic acid Openeye Name: 2-(4-methylpiperazin-1-yl)-4-oxo-4-(4-phenoxyanilino)butanoic acid CAS Name: 2-(4-methyl-1-piperazinyl)-4-oxo-4-(4-phenoxyanilino)butanoic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-4-oxo-4-(4-phenoxyanilino)butanoic acid Traditional Name: 4-keto-2-(4-methylpiperazino)-4-(4-phenoxyanilino)butyric acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-23-11-13-24(14-12-23)19(21(26)27)15-20(25)22-16-7-9-18(10-8-16)28-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,22,25)(H,26,27)