2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(E)-3-(m-tolyl)prop-2-enoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(E)-3-(m-tolyl)acryloyl]piperazino]acetic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-13-3-2-4-14(11-13)5-6-15(19)18-9-7-17(8-10-18)12-16(20)21/h2-6,11H,7-10,12H2,1H3,(H,20,21)/b6-5+