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

Systemtic Name: methyl 4-[(E)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C23H26N2O3/c1-17-5-4-6-21(18(17)2)24-13-15-25(16-14-24)22(26)12-9-19-7-10-20(11-8-19)23(27)28-3/h4-12H,13-16H2,1-3H3/b12-9+