5-[[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(3-bromo-4-ethoxy-5-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(3-bromo-4-ethoxy-5-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C19H20BrNO6 MolecularWeight: 438.2692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C19H20BrNO6/c1-4-27-17-14(20)8-12(9-16(17)26-3)18(22)21-10-11-5-6-15(25-2)13(7-11)19(23)24/h5-9H,4,10H2,1-3H3,(H,21,22)(H,23,24)