3,3-dimethyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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