4-(propanoylamino)-2-[(4-propoxycarbonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 4-(propanoylamino)-2-[(4-propoxycarbonylphenyl)carbonylamino]benzoic acid Openeye Name: 4-(propanoylamino)-2-[(4-propoxycarbonylbenzoyl)amino]benzoic acid CAS Name: 2-[[oxo-[4-[oxo(propoxy)methyl]phenyl]methyl]amino]-4-(1-oxopropylamino)benzoic acid IUPAC Name: 4-(propanoylamino)-2-[(4-propoxycarbonylbenzoyl)amino]benzoic acid Traditional Name: 4-propionamido-2-[(4-propoxycarbonylbenzoyl)amino]benzoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CC)C(=O)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CC)C(=O)O

InChI

InChI=1S/C21H22N2O6/c1-3-11-29-21(28)14-7-5-13(6-8-14)19(25)23-17-12-15(22-18(24)4-2)9-10-16(17)20(26)27/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)