2-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamoyl]benzoic acid Openeye Name: 2-[[[4-(pentanoylamino)benzoyl]amino]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]methyl]benzoic acid IUPAC Name: 2-[[[4-(pentanoylamino)benzoyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[4-(valerylamino)benzoyl]amino]carbamoyl]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H21N3O5/c1-2-3-8-17(24)21-14-11-9-13(10-12-14)18(25)22-23-19(26)15-6-4-5-7-16(15)20(27)28/h4-7,9-12H,2-3,8H2,1H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)