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

Systemtic Name: tert-butyl 3,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C35H36N2O6 MolecularWeight: 580.67014

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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)(C)C)C#CCOC(=O)NCC3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C35H36N2O6/c1-25-10-6-12-29(18-25)23-36-33(39)41-16-8-14-27-20-28(22-31(21-27)32(38)43-35(3,4)5)15-9-17-42-34(40)37-24-30-13-7-11-26(2)19-30/h6-7,10-13,18-22H,16-17,23-24H2,1-5H3,(H,36,39)(H,37,40)