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

Systemtic Name: 3-[(3-bromanyl-4-methyl-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[(3-bromo-4-methyl-benzoyl)amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[[(3-bromo-4-methylphenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[(3-bromo-4-methylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(3-bromo-4-methyl-benzoyl)amino]-3-(4-methoxyphenyl)propionic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C18H18BrNO4/c1-11-3-4-13(9-15(11)19)18(23)20-16(10-17(21)22)12-5-7-14(24-2)8-6-12/h3-9,16H,10H2,1-2H3,(H,20,23)(H,21,22)