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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N(CC2CC2)CC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N(CC2CC2)CC(=O)O)Br

InChI

InChI=1S/C16H18BrNO3/c1-11-2-5-13(14(17)8-11)6-7-15(19)18(10-16(20)21)9-12-3-4-12/h2,5-8,12H,3-4,9-10H2,1H3,(H,20,21)/b7-6+