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

Systemtic Name: tert-butyl 4-[3-[1-(2-aminocarbonyl-6-chloranyl-phenoxy)ethyl]phenyl]carbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-[1-(2-carbamoyl-6-chloro-phenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[3-[1-(2-carbamoyl-6-chlorophenoxy)ethyl]phenyl]-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[1-(2-carbamoyl-6-chlorophenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-[1-(2-carbamoyl-6-chloro-phenoxy)ethyl]benzoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C26H32ClN3O5 MolecularWeight: 502.00238

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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=C3Cl)C(=O)N

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)OC3=C(C=CC=C3Cl)C(=O)N

InChI

InChI=1S/C26H32ClN3O5/c1-17(34-22-20(23(28)31)10-6-11-21(22)27)18-8-5-9-19(16-18)24(32)29-12-7-13-30(15-14-29)25(33)35-26(2,3)4/h5-6,8-11,16-17H,7,12-15H2,1-4H3,(H2,28,31)