tert-butyl N-[3,5-bis[[3-(3-oxidanylbut-1-ynyl)phenyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3,5-bis[[3-(3-oxidanylbut-1-ynyl)phenyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3,5-bis[[3-(3-hydroxybut-1-ynyl)phenyl]carbamoyl]phenyl]carbamate CAS Name: N-[3,5-bis[[3-(3-hydroxybut-1-ynyl)anilino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3,5-bis[[3-(3-hydroxybut-1-ynyl)phenyl]carbamoyl]phenyl]carbamate Traditional Name: N-[3,5-bis[[3-(3-hydroxybut-1-ynyl)phenyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C33H33N3O6 MolecularWeight: 567.63162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)NC(=O)OC(C)(C)C)C(=O)NC3=CC=CC(=C3)C#CC(C)O)O

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)NC(=O)OC(C)(C)C)C(=O)NC3=CC=CC(=C3)C#CC(C)O)O

InChI

InChI=1S/C33H33N3O6/c1-21(37)12-14-23-8-6-10-27(16-23)34-30(39)25-18-26(20-29(19-25)36-32(41)42-33(3,4)5)31(40)35-28-11-7-9-24(17-28)15-13-22(2)38/h6-11,16-22,37-38H,1-5H3,(H,34,39)(H,35,40)(H,36,41)