4-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid Openeye Name: 4-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 4-[oxo-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid Traditional Name: 4-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-8(2)15-11(16)7-14-12(17)9-3-5-10(6-4-9)13(18)19/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)