4-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(m-tolyl)piperazin-1-yl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[4-(3-methylphenyl)-1-piperazinyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(3-methylphenyl)piperazin-1-yl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[4-(m-tolyl)piperazino]anilino]butyric acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H25N3O3/c1-16-3-2-4-19(15-16)24-13-11-23(12-14-24)18-7-5-17(6-8-18)22-20(25)9-10-21(26)27/h2-8,15H,9-14H2,1H3,(H,22,25)(H,26,27)