3-(2,5-dimethylphenyl)-2-ethanoyl-2-prop-2-enoyl-piperazine-1-carboxylic acid

Systemtic Name: 3-(2,5-dimethylphenyl)-2-ethanoyl-2-prop-2-enoyl-piperazine-1-carboxylic acid Openeye Name: 2-acetyl-3-(2,5-dimethylphenyl)-2-prop-2-enoyl-piperazine-1-carboxylic acid CAS Name: 2-acetyl-3-(2,5-dimethylphenyl)-2-(1-oxoprop-2-enyl)-1-piperazinecarboxylic acid IUPAC Name: 2-acetyl-3-(2,5-dimethylphenyl)-2-prop-2-enoylpiperazine-1-carboxylic acid Traditional Name: 2-acetyl-2-acryloyl-3-(2,5-dimethylphenyl)piperazine-1-carboxylic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(N(CCN2)C(=O)O)(C(=O)C)C(=O)C=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C(N(CCN2)C(=O)O)(C(=O)C)C(=O)C=C

InChI

InChI=1S/C18H22N2O4/c1-5-15(22)18(13(4)21)16(19-8-9-20(18)17(23)24)14-10-11(2)6-7-12(14)3/h5-7,10,16,19H,1,8-9H2,2-4H3,(H,23,24)