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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(3-bromo-5-methoxy-4-propoxybenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]-3-methyl-benzoic acid Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OC

InChI

InChI=1S/C19H20BrNO5/c1-4-7-26-17-14(20)9-13(10-16(17)25-3)18(22)21-15-6-5-12(19(23)24)8-11(15)2/h5-6,8-10H,4,7H2,1-3H3,(H,21,22)(H,23,24)