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

Systemtic Name: 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-3,3-dimethyl-butyric acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-10-5-6-11(12(17)9-10)7-8-13(19)18-14(15(20)21)16(2,3)4/h5-9,14H,1-4H3,(H,18,19)(H,20,21)/b8-7+