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

Systemtic Name: 4-[[1-[cyano(methyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[2-[cyano(methyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 4-[[[1-[cyano(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[1-[cyano(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[2-[cyano(methyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoyl]benzoic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(CC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C#N)C(=O)C(CC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H23N3O4/c1-22(12-20)18(24)16(11-13-5-3-2-4-6-13)21-17(23)14-7-9-15(10-8-14)19(25)26/h7-10,13,16H,2-6,11H2,1H3,(H,21,23)(H,25,26)