3-[(3-methylphenyl)methyl]-4-oxidanylidene-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butanoic acid

Systemtic Name: 3-[(3-methylphenyl)methyl]-4-oxidanylidene-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butanoic acid Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-1-yl]-3-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 3-[(3-methylphenyl)methyl]-4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]butanoic acid IUPAC Name: 3-[(3-methylphenyl)methyl]-4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butanoic acid Traditional Name: 4-[4-[(E)-cinnamyl]piperazino]-4-keto-3-(3-methylbenzyl)butyric acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-20-7-5-10-22(17-20)18-23(19-24(28)29)25(30)27-15-13-26(14-16-27)12-6-11-21-8-3-2-4-9-21/h2-11,17,23H,12-16,18-19H2,1H3,(H,28,29)/b11-6+