tert-butyl 3,5-bis[3-[(4-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate; tert-butyl carbamate

Systemtic Name: tert-butyl 3,5-bis[3-[(4-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate; tert-butyl carbamate Openeye Name: tert-butyl 3,5-bis[3-(p-tolylmethylcarbamoyloxy)prop-1-ynyl]benzoate; tert-butyl carbamate CAS Name: 3,5-bis[3-[[(4-methylphenyl)methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid tert-butyl ester; carbamic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-bis[3-[(4-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate; tert-butyl carbamate Traditional Name: 3,5-bis[3-[(4-methylbenzyl)carbamoyloxy]prop-1-ynyl]benzoic acid tert-butyl ester; carbamic acid tert-butyl ester Formula: C40H47N3O8 MolecularWeight: 697.81648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)OCC#CC2=CC(=CC(=C2)C(=O)OC(C)(C)C)C#CCOC(=O)NCC3=CC=C(C=C3)C.CC(C)(C)OC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)OCC#CC2=CC(=CC(=C2)C(=O)OC(C)(C)C)C#CCOC(=O)NCC3=CC=C(C=C3)C.CC(C)(C)OC(=O)N

InChI

InChI=1S/C35H36N2O6.C5H11NO2/c1-25-10-14-27(15-11-25)23-36-33(39)41-18-6-8-29-20-30(22-31(21-29)32(38)43-35(3,4)5)9-7-19-42-34(40)37-24-28-16-12-26(2)13-17-28;1-5(2,3)8-4(6)7/h10-17,20-22H,18-19,23-24H2,1-5H3,(H,36,39)(H,37,40);1-3H3,(H2,6,7)