4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-methyl-amino]butanoic acid CAS Name: 4-[[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-methylamino]butanoic acid IUPAC Name: 4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-methylamino]butanoic acid Traditional Name: 4-[[(E)-3-(2,4-dimethylphenyl)acryloyl]-methyl-amino]butyric acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N(C)CCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N(C)CCCC(=O)O)C

InChI

InChI=1S/C16H21NO3/c1-12-6-7-14(13(2)11-12)8-9-15(18)17(3)10-4-5-16(19)20/h6-9,11H,4-5,10H2,1-3H3,(H,19,20)/b9-8+