3-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-[[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 3-[[[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 3-[[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoyl]benzoic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C19H23N3O4/c20-9-10-21-18(24)16(11-13-5-2-1-3-6-13)22-17(23)14-7-4-8-15(12-14)19(25)26/h4,7-8,12-13,16H,1-3,5-6,10-11H2,(H,21,24)(H,22,23)(H,25,26)