[1-[(2,4-dimethoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] cyclohexanecarboxylate

Systemtic Name: [1-[(2,4-dimethoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] cyclohexanecarboxylate Openeye Name: [6-(tert-butoxycarbonylamino)-1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-azepan-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [1-[(2,4-dimethoxyphenyl)methyl]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-3-azepanyl] ester IUPAC Name: [1-[(2,4-dimethoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoazepan-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [6-(tert-butoxycarbonylamino)-1-(2,4-dimethoxybenzyl)-7-keto-azepan-3-yl] ester Formula: C27H40N2O7 MolecularWeight: 504.6157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CN(C1=O)CC2=C(C=C(C=C2)OC)OC)OC(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CN(C1=O)CC2=C(C=C(C=C2)OC)OC)OC(=O)C3CCCCC3

InChI

InChI=1S/C27H40N2O7/c1-27(2,3)36-26(32)28-22-14-13-21(35-25(31)18-9-7-6-8-10-18)17-29(24(22)30)16-19-11-12-20(33-4)15-23(19)34-5/h11-12,15,18,21-22H,6-10,13-14,16-17H2,1-5H3,(H,28,32)