2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-2-cyclopropyl-propanoic acid

Systemtic Name: 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-2-cyclopropyl-propanoic acid Openeye Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-2-cyclopropyl-propanoic acid CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-2-cyclopropylpropanoic acid IUPAC Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-2-cyclopropylpropanoic acid Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-2-cyclopropyl-propionic acid Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC(C)(C2CC2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC(C)(C2CC2)C(=O)O)Br

InChI

InChI=1S/C16H18BrNO3/c1-10-3-4-11(13(17)9-10)5-8-14(19)18-16(2,15(20)21)12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,19)(H,20,21)/b8-5+