2-[[2-[(4-cyanophenyl)methyl]-3-(dimethylamino)-3-oxidanylidene-propanoyl]amino]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[[2-[(4-cyanophenyl)methyl]-3-(dimethylamino)-3-oxidanylidene-propanoyl]amino]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[[2-[(4-cyanophenyl)methyl]-3-(dimethylamino)-3-oxo-propanoyl]amino]-2-cyclohexyl-acetic acid CAS Name: 2-[[2-[(4-cyanophenyl)methyl]-3-(dimethylamino)-1,3-dioxopropyl]amino]-2-cyclohexylacetic acid IUPAC Name: 2-[[2-[(4-cyanophenyl)methyl]-3-(dimethylamino)-3-oxopropanoyl]amino]-2-cyclohexylacetic acid Traditional Name: 2-[[2-(4-cyanobenzyl)-3-(dimethylamino)-3-keto-propanoyl]amino]-2-cyclohexyl-acetic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=C(C=C1)C#N)C(=O)NC(C2CCCCC2)C(=O)O

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=C(C=C1)C#N)C(=O)NC(C2CCCCC2)C(=O)O

InChI

InChI=1S/C21H27N3O4/c1-24(2)20(26)17(12-14-8-10-15(13-22)11-9-14)19(25)23-18(21(27)28)16-6-4-3-5-7-16/h8-11,16-18H,3-7,12H2,1-2H3,(H,23,25)(H,27,28)