3-[(3-bromanyl-4-methyl-phenyl)carbonylamino]-3-(3,4-diethylphenyl)propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methyl-phenyl)carbonylamino]-3-(3,4-diethylphenyl)propanoic acid Openeye Name: 3-[(3-bromo-4-methyl-benzoyl)amino]-3-(3,4-diethylphenyl)propanoic acid CAS Name: 3-[[(3-bromo-4-methylphenyl)-oxomethyl]amino]-3-(3,4-diethylphenyl)propanoic acid IUPAC Name: 3-[(3-bromo-4-methylbenzoyl)amino]-3-(3,4-diethylphenyl)propanoic acid Traditional Name: 3-[(3-bromo-4-methyl-benzoyl)amino]-3-(3,4-diethylphenyl)propionic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)C)Br)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)C)Br)CC

InChI

InChI=1S/C21H24BrNO3/c1-4-14-8-9-16(10-15(14)5-2)19(12-20(24)25)23-21(26)17-7-6-13(3)18(22)11-17/h6-11,19H,4-5,12H2,1-3H3,(H,23,26)(H,24,25)