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

Systemtic Name: 5-[[(4-butoxy-3-methoxy-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(4-butoxy-3-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(4-butoxy-3-methoxyphenyl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(4-butoxy-3-methoxybenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(4-butoxy-3-methoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C21H25NO6/c1-4-5-10-28-18-9-7-15(12-19(18)27-3)20(23)22-13-14-6-8-17(26-2)16(11-14)21(24)25/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,23)(H,24,25)