tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-(m-tolylcarbamoylamino)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[7-(2,6-dimethylcyclohexyl)-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxoazepan-1-yl]acetate Traditional Name: 2-[7-(2,6-dimethylcyclohexyl)-2-keto-3-(m-tolylcarbamoylamino)azepan-1-yl]acetic acid tert-butyl ester Formula: C28H43N3O4 MolecularWeight: 485.65872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C2CCCC(C(=O)N2CC(=O)OC(C)(C)C)NC(=O)NC3=CC=CC(=C3)C)C

Isomeric SMILES

CC1CCCC(C1C2CCCC(C(=O)N2CC(=O)OC(C)(C)C)NC(=O)NC3=CC=CC(=C3)C)C

InChI

InChI=1S/C28H43N3O4/c1-18-10-7-13-21(16-18)29-27(34)30-22-14-9-15-23(25-19(2)11-8-12-20(25)3)31(26(22)33)17-24(32)35-28(4,5)6/h7,10,13,16,19-20,22-23,25H,8-9,11-12,14-15,17H2,1-6H3,(H2,29,30,34)