4-[2-(propan-2-ylcarbamoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(propan-2-ylcarbamoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(isopropylcarbamoylamino)ethyl]benzoic acid CAS Name: 4-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-(propan-2-ylcarbamoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(isopropylcarbamoylamino)ethyl]benzoic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

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