3-methyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[(E)-3-(m-tolyl)acryloyl]amino]valeric acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C=CC1=CC(=CC=C1)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)/C=C/C1=CC(=CC=C1)C

InChI

InChI=1S/C16H21NO3/c1-4-12(3)15(16(19)20)17-14(18)9-8-13-7-5-6-11(2)10-13/h5-10,12,15H,4H2,1-3H3,(H,17,18)(H,19,20)/b9-8+