2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoic acid; tert-butyl carbamate

Systemtic Name: 2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoic acid; tert-butyl carbamate Openeye Name: 2,5-bis[3-(m-tolylmethylcarbamoyloxy)prop-1-ynyl]benzoic acid; tert-butyl carbamate CAS Name: 2,5-bis[3-[[(3-methylphenyl)methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid; carbamic acid tert-butyl ester IUPAC Name: 2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoic acid; tert-butyl carbamate Traditional Name: 2,5-bis[3-[(3-methylbenzyl)carbamoyloxy]prop-1-ynyl]benzoic acid; carbamic acid tert-butyl ester Formula: C36H39N3O8 MolecularWeight: 641.71016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O6.C5H11NO2/c1-22-7-3-9-25(17-22)20-32-30(36)38-15-5-11-24-13-14-27(28(19-24)29(34)35)12-6-16-39-31(37)33-21-26-10-4-8-23(2)18-26;1-5(2,3)8-4(6)7/h3-4,7-10,13-14,17-19H,15-16,20-21H2,1-2H3,(H,32,36)(H,33,37)(H,34,35);1-3H3,(H2,6,7)