4-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 4-[[[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c20-10-11-21-18(24)16(12-13-4-2-1-3-5-13)22-17(23)14-6-8-15(9-7-14)19(25)26/h6-9,13,16H,1-5,11-12H2,(H,21,24)(H,22,23)(H,25,26)