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

Systemtic Name: 2-[5-cyano-7-(cyclohexyloxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-7-(cyclohexoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-7-(cyclohexyloxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-7-(cyclohexyloxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-7-(cyclohexoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)COC4CCCCC4)C)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)COC4CCCCC4)C)CC(=O)O

InChI

InChI=1S/C25H32N2O4/c1-3-10-25(13-21(28)29)24-20(9-11-31-25)22-17(14-26)12-18(16(2)23(22)27-24)15-30-19-7-5-4-6-8-19/h12,19,27H,3-11,13,15H2,1-2H3,(H,28,29)