4-(3-methylbutylcarbamoylamino)benzoic acid

Systemtic Name: 4-(3-methylbutylcarbamoylamino)benzoic acid Openeye Name: 4-(isopentylcarbamoylamino)benzoic acid CAS Name: 4-[[(3-methylbutylamino)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(3-methylbutylcarbamoylamino)benzoic acid Traditional Name: 4-(isoamylcarbamoylamino)benzoic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-9(2)7-8-14-13(18)15-11-5-3-10(4-6-11)12(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)