[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H34N2O6 MolecularWeight: 446.53656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCCC2)NC(=O)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCCC2)NC(=O)C3CCCCC3)OC

InChI

InChI=1S/C24H34N2O6/c1-30-20-14-18(24(29)32-16-22(27)26-12-8-3-4-9-13-26)19(15-21(20)31-2)25-23(28)17-10-6-5-7-11-17/h14-15,17H,3-13,16H2,1-2H3,(H,25,28)