tert-butyl N-[4-[2-[(5-chloranyl-2-oxidanyl-phenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[(5-chloranyl-2-oxidanyl-phenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[2-[(5-chloro-2-hydroxy-phenyl)methylcarbamoyl]pyrrolidin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[4-[2-[[(5-chloro-2-hydroxyphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-4-oxo-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[(5-chloro-2-hydroxyphenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[2-[(5-chloro-2-hydroxy-benzyl)carbamoyl]pyrrolidino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C27H34ClN3O5 MolecularWeight: 516.02896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C27H34ClN3O5/c1-27(2,3)36-26(35)30-21(14-18-8-5-4-6-9-18)16-24(33)31-13-7-10-22(31)25(34)29-17-19-15-20(28)11-12-23(19)32/h4-6,8-9,11-12,15,21-22,32H,7,10,13-14,16-17H2,1-3H3,(H,29,34)(H,30,35)