2-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamoyl]benzoic acid Openeye Name: 2-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[4-(isovalerylamino)benzoyl]amino]carbamoyl]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-12(2)11-17(24)21-14-9-7-13(8-10-14)18(25)22-23-19(26)15-5-3-4-6-16(15)20(27)28/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)