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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)/C=C/C1=C(C=C(C=C1)C)Br

InChI

InChI=1S/C16H20BrNO3/c1-4-11(3)15(16(20)21)18-14(19)8-7-12-6-5-10(2)9-13(12)17/h5-9,11,15H,4H2,1-3H3,(H,18,19)(H,20,21)/b8-7+