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

Systemtic Name: 3-methyl-2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[(E)-3-(o-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=C1C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)/C=C/C1=CC=CC=C1C

InChI

InChI=1S/C16H21NO3/c1-4-11(2)15(16(19)20)17-14(18)10-9-13-8-6-5-7-12(13)3/h5-11,15H,4H2,1-3H3,(H,17,18)(H,19,20)/b10-9+