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

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(3-bromo-5-ethoxy-4-methoxyphenyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(3-bromo-5-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]-3-methyl-benzoic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)Br)OC

InChI

InChI=1S/C18H18BrNO5/c1-4-25-15-9-12(8-13(19)16(15)24-3)17(21)20-14-6-5-11(18(22)23)7-10(14)2/h5-9H,4H2,1-3H3,(H,20,21)(H,22,23)