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

Systemtic Name: methyl 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-3-methyl-butyric acid methyl ester 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(C)C)C(=O)OC)Br

Isomeric SMILES

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

InChI

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