1-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2(CCCC2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2(CCCC2)C(=O)O)Br

InChI

InChI=1S/C16H18BrNO3/c1-11-4-5-12(13(17)10-11)6-7-14(19)18-16(15(20)21)8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)(H,20,21)/b7-6+