methyl 4-[(E)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-16-3-9-19(23)15-20(16)24-11-13-25(14-12-24)21(26)10-6-17-4-7-18(8-5-17)22(27)28-2/h3-10,15H,11-14H2,1-2H3/b10-6+