tert-butyl [4-phenylmethoxy-3-[(3,4,5-trimethoxyphenyl)carbonylamino]azepan-1-yl] carbonate

Systemtic Name: tert-butyl [4-phenylmethoxy-3-[(3,4,5-trimethoxyphenyl)carbonylamino]azepan-1-yl] carbonate Openeye Name: [4-benzyloxy-3-[(3,4,5-trimethoxybenzoyl)amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4-phenylmethoxy-1-azepanyl] ester IUPAC Name: tert-butyl [4-phenylmethoxy-3-[(3,4,5-trimethoxybenzoyl)amino]azepan-1-yl] carbonate Traditional Name: carbonic acid [4-benzoxy-3-[(3,4,5-trimethoxybenzoyl)amino]azepan-1-yl] tert-butyl ester Formula: C28H38N2O8 MolecularWeight: 530.60992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCCC(C(C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCCC(C(C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C28H38N2O8/c1-28(2,3)37-27(32)38-30-14-10-13-22(36-18-19-11-8-7-9-12-19)21(17-30)29-26(31)20-15-23(33-4)25(35-6)24(16-20)34-5/h7-9,11-12,15-16,21-22H,10,13-14,17-18H2,1-6H3,(H,29,31)