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

Systemtic Name: methyl 3,5-bis[3-[(4-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoate Openeye Name: 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 IUPAC Name: 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 Formula: C32H30N2O6 MolecularWeight: 538.5904

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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

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

InChI

InChI=1S/C32H30N2O6/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/h8-15,18-20H,16-17,21-22H2,1-3H3,(H,33,36)(H,34,37)