tert-butyl [4-[[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]methyl]-2-methoxy-phenyl] carbonate

Systemtic Name: tert-butyl [4-[[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]methyl]-2-methoxy-phenyl] carbonate Openeye Name: tert-butyl [4-[[4-[2-(2-chloroanilino)-2-oxo-ethyl]-1,4-diazepan-1-yl]methyl]-2-methoxy-phenyl] carbonate CAS Name: carbonic acid tert-butyl [4-[[4-[2-(2-chloroanilino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-methoxyphenyl] ester IUPAC Name: tert-butyl [4-[[4-[2-(2-chloroanilino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-methoxyphenyl] carbonate Traditional Name: carbonic acid tert-butyl [4-[[4-[2-(2-chloroanilino)-2-keto-ethyl]-1,4-diazepan-1-yl]methyl]-2-methoxy-phenyl] ester Formula: C26H34ClN3O5 MolecularWeight: 504.01826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C26H34ClN3O5/c1-26(2,3)35-25(32)34-22-11-10-19(16-23(22)33-4)17-29-12-7-13-30(15-14-29)18-24(31)28-21-9-6-5-8-20(21)27/h5-6,8-11,16H,7,12-15,17-18H2,1-4H3,(H,28,31)