methyl 4-[(E)-3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(o-tolyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-(o-tolyl)piperazino]prop-1-enyl]benzoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O3/c1-17-5-3-4-6-20(17)23-13-15-24(16-14-23)21(25)12-9-18-7-10-19(11-8-18)22(26)27-2/h3-12H,13-16H2,1-2H3/b12-9+