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

Systemtic Name: 2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoic acid Openeye Name: 2,5-bis[3-(m-tolylmethylcarbamoyloxy)prop-1-ynyl]benzoic acid CAS Name: 2,5-bis[3-[[(3-methylphenyl)methylamino]-oxomethoxy]prop-1-ynyl]benzoic acid IUPAC Name: 2,5-bis[3-[(3-methylphenyl)methylcarbamoyloxy]prop-1-ynyl]benzoic acid Traditional Name: 2,5-bis[3-[(3-methylbenzyl)carbamoyloxy]prop-1-ynyl]benzoic acid Formula: C31H28N2O6 MolecularWeight: 524.56382

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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

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

InChI

InChI=1S/C31H28N2O6/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/h3-4,7-10,13-14,17-19H,15-16,20-21H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)