3-[3-(2,2-dimethylpropanoylamino)propylcarbamoylamino]benzoic acid

Systemtic Name: 3-[3-(2,2-dimethylpropanoylamino)propylcarbamoylamino]benzoic acid Openeye Name: 3-[3-(2,2-dimethylpropanoylamino)propylcarbamoylamino]benzoic acid CAS Name: 3-[[[3-[(2,2-dimethyl-1-oxopropyl)amino]propylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[3-(2,2-dimethylpropanoylamino)propylcarbamoylamino]benzoic acid Traditional Name: 3-[3-(pivaloylamino)propylcarbamoylamino]benzoic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCCCNC(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NCCCNC(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)14(22)17-8-5-9-18-15(23)19-12-7-4-6-11(10-12)13(20)21/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,22)(H,20,21)(H2,18,19,23)