methyl 3,5-bis[2-(pent-4-ynoylamino)ethoxy]benzoate

Systemtic Name: methyl 3,5-bis[2-(pent-4-ynoylamino)ethoxy]benzoate Openeye Name: methyl 3,5-bis[2-(pent-4-ynoylamino)ethoxy]benzoate CAS Name: 3,5-bis[2-(1-oxopent-4-ynylamino)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3,5-bis[2-(pent-4-ynoylamino)ethoxy]benzoate Traditional Name: 3,5-bis[2-(pent-4-ynoylamino)ethoxy]benzoic acid methyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCCNC(=O)CCC#C)OCCNC(=O)CCC#C

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCCNC(=O)CCC#C)OCCNC(=O)CCC#C

InChI

InChI=1S/C22H26N2O6/c1-4-6-8-20(25)23-10-12-29-18-14-17(22(27)28-3)15-19(16-18)30-13-11-24-21(26)9-7-5-2/h1-2,14-16H,6-13H2,3H3,(H,23,25)(H,24,26)