tert-butyl 4-[3-[1-(2-aminocarbonyl-6-methoxy-phenoxy)ethyl]phenyl]carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[1-(2-aminocarbonyl-6-methoxy-phenoxy)ethyl]phenyl]carbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-[1-(2-carbamoyl-6-methoxy-phenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[3-[1-(2-carbamoyl-6-methoxyphenoxy)ethyl]phenyl]-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[1-(2-carbamoyl-6-methoxyphenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-[1-(2-carbamoyl-6-methoxy-phenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)OC3=C(C=CC=C3OC)C(=O)N

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)OC3=C(C=CC=C3OC)C(=O)N

InChI

InChI=1S/C27H35N3O6/c1-18(35-23-21(24(28)31)11-7-12-22(23)34-5)19-9-6-10-20(17-19)25(32)29-13-8-14-30(16-15-29)26(33)36-27(2,3)4/h6-7,9-12,17-18H,8,13-16H2,1-5H3,(H2,28,31)