2-[2-cyanoethyl(propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-cyanoethyl(propan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-cyanoethyl(isopropyl)carbamoyl]benzoic acid CAS Name: 2-[[2-cyanoethyl(propan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-cyanoethyl(propan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-cyanoethyl(isopropyl)carbamoyl]benzoic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC#N)C(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)N(CCC#N)C(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H16N2O3/c1-10(2)16(9-5-8-15)13(17)11-6-3-4-7-12(11)14(18)19/h3-4,6-7,10H,5,9H2,1-2H3,(H,18,19)