4-[[2-butoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[2-butoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[2-butoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoic acid CAS Name: 4-[[2-[butoxy(oxo)methyl]-5-(1-oxopropylamino)anilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[2-butoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoic acid Traditional Name: 4-[(2-butoxycarbonyl-5-propionamido-phenyl)carbamoyl]benzoic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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