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

Systemtic Name: 2-[(4-butoxycarbonylphenyl)carbonylamino]-4-(propanoylamino)benzoic acid Openeye Name: 2-[(4-butoxycarbonylbenzoyl)amino]-4-(propanoylamino)benzoic acid CAS Name: 2-[[[4-[butoxy(oxo)methyl]phenyl]-oxomethyl]amino]-4-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[(4-butoxycarbonylbenzoyl)amino]-4-(propanoylamino)benzoic acid Traditional Name: 2-[(4-butoxycarbonylbenzoyl)amino]-4-propionamido-benzoic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c1-3-5-12-30-22(29)15-8-6-14(7-9-15)20(26)24-18-13-16(23-19(25)4-2)10-11-17(18)21(27)28/h6-11,13H,3-5,12H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)