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

Systemtic Name: 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-4-methyl-valeric 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(CC(C)C)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-10(2)8-14(16(20)21)18-15(19)7-6-12-5-4-11(3)9-13(12)17/h4-7,9-10,14H,8H2,1-3H3,(H,18,19)(H,20,21)/b7-6+