2-[5-cyano-8-methyl-7-(phenylmethoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-8-methyl-7-(phenylmethoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[7-(benzyloxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-8-methyl-7-(phenylmethoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-8-methyl-7-(phenylmethoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[7-(benzoxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)COCC4=CC=CC=C4)C)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)COCC4=CC=CC=C4)C)CC(=O)O

InChI

InChI=1S/C26H28N2O4/c1-3-10-26(13-22(29)30)25-21(9-11-32-26)23-19(14-27)12-20(17(2)24(23)28-25)16-31-15-18-7-5-4-6-8-18/h4-8,12,28H,3,9-11,13,15-16H2,1-2H3,(H,29,30)