methyl 2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate

Systemtic Name: methyl 2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Openeye Name: methyl 2,5-bis[3-(m-tolylmethylcarbamoyloxy)prop-1-ynyl]benzoate CAS Name: 2,5-bis[3-[[(3-methylphenyl)methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Traditional Name: 2,5-bis[3-[(3-methylbenzyl)carbamoyloxy]prop-1-ynyl]benzoic acid methyl ester Formula: C32H30N2O6 MolecularWeight: 538.5904

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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)OC

Isomeric SMILES

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

InChI

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