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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)NC(C(C)C)C(=O)O

InChI

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