4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(4-benzyloxy-3-bromo-5-methoxy-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxybenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(4-benzoxy-3-bromo-5-methoxy-benzoyl)amino]-3-methyl-benzoic acid Formula: C23H20BrNO5 MolecularWeight: 470.3126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H20BrNO5/c1-14-10-16(23(27)28)8-9-19(14)25-22(26)17-11-18(24)21(20(12-17)29-2)30-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,25,26)(H,27,28)