methyl 4-[(E)-3-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[3-methyl-4-(4-methyl-1-piperazinyl)anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[3-methyl-4-(4-methylpiperazino)anilino]prop-1-enyl]benzoic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C23H27N3O3/c1-17-16-20(9-10-21(17)26-14-12-25(2)13-15-26)24-22(27)11-6-18-4-7-19(8-5-18)23(28)29-3/h4-11,16H,12-15H2,1-3H3,(H,24,27)/b11-6+