tert-butyl 4-[3-[1-(2-aminocarbonylphenoxy)ethyl]phenyl]carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[1-(2-aminocarbonylphenoxy)ethyl]phenyl]carbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-[1-(2-carbamoylphenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[3-[1-(2-carbamoylphenoxy)ethyl]phenyl]-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[1-(2-carbamoylphenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-[1-(2-carbamoylphenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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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=CC=CC=C3C(=O)N

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)OC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C26H33N3O5/c1-18(33-22-12-6-5-11-21(22)23(27)30)19-9-7-10-20(17-19)24(31)28-13-8-14-29(16-15-28)25(32)34-26(2,3)4/h5-7,9-12,17-18H,8,13-16H2,1-4H3,(H2,27,30)