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

Systemtic Name: tert-butyl carbamate; methyl 3,5-bis[3-[(4-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Openeye Name: tert-butyl carbamate; methyl 3,5-bis[3-(p-tolylmethylcarbamoyloxy)prop-1-ynyl]benzoate CAS Name: 3,5-bis[3-[[(4-methylphenyl)methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid methyl ester; carbamic acid tert-butyl ester IUPAC Name: tert-butyl carbamate; methyl 3,5-bis[3-[(4-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Traditional Name: 3,5-bis[3-[(4-methylbenzyl)carbamoyloxy]prop-1-ynyl]benzoic acid methyl ester; carbamic acid tert-butyl ester Formula: C37H41N3O8 MolecularWeight: 655.73674

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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#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#CCOC(=O)NCC3=CC=C(C=C3)C.CC(C)(C)OC(=O)N

InChI

InChI=1S/C32H30N2O6.C5H11NO2/c1-23-8-12-25(13-9-23)21-33-31(36)39-16-4-6-27-18-28(20-29(19-27)30(35)38-3)7-5-17-40-32(37)34-22-26-14-10-24(2)11-15-26;1-5(2,3)8-4(6)7/h8-15,18-20H,16-17,21-22H2,1-3H3,(H,33,36)(H,34,37);1-3H3,(H2,6,7)