4-[[(3,4,5-triethoxyphenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3,4,5-triethoxyphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3,4,5-triethoxybenzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,4,5-triethoxybenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3,4,5-triethoxybenzoyl)amino]methyl]benzoic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H25NO6/c1-4-26-17-11-16(12-18(27-5-2)19(17)28-6-3)20(23)22-13-14-7-9-15(10-8-14)21(24)25/h7-12H,4-6,13H2,1-3H3,(H,22,23)(H,24,25)