(Z)-4-[[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[4-[4-(o-tolyl)piperazin-1-yl]anilino]-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[4-[4-(2-methylphenyl)-1-piperazinyl]anilino]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[4-[4-(2-methylphenyl)piperazin-1-yl]anilino]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[4-[4-(o-tolyl)piperazino]anilino]but-2-enoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NC(=O)/C=C\C(=O)O

InChI

InChI=1S/C21H23N3O3/c1-16-4-2-3-5-19(16)24-14-12-23(13-15-24)18-8-6-17(7-9-18)22-20(25)10-11-21(26)27/h2-11H,12-15H2,1H3,(H,22,25)(H,26,27)/b11-10-