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

Systemtic Name: 5-[[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(3-bromo-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C20H22BrNO6/c1-4-7-28-18-15(21)9-13(10-17(18)27-3)19(23)22-11-12-5-6-16(26-2)14(8-12)20(24)25/h5-6,8-10H,4,7,11H2,1-3H3,(H,22,23)(H,24,25)