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

Systemtic Name: tert-butyl carbamate; methyl 3,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Openeye Name: tert-butyl carbamate; methyl 3,5-bis[3-(m-tolylmethylcarbamoyloxy)prop-1-ynyl]benzoate CAS Name: 3,5-bis[3-[[(3-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-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Traditional Name: 3,5-bis[3-[(3-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(=CC=C1)CNC(=O)OCC#CC2=CC(=CC(=C2)C(=O)OC)C#CCOC(=O)NCC3=CC=CC(=C3)C.CC(C)(C)OC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C32H30N2O6.C5H11NO2/c1-23-8-4-10-27(16-23)21-33-31(36)39-14-6-12-25-18-26(20-29(19-25)30(35)38-3)13-7-15-40-32(37)34-22-28-11-5-9-24(2)17-28;1-5(2,3)8-4(6)7/h4-5,8-11,16-20H,14-15,21-22H2,1-3H3,(H,33,36)(H,34,37);1-3H3,(H2,6,7)