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

Systemtic Name: 2-[5-cyano-8-methyl-7-(propoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-8-methyl-7-(propoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-8-methyl-7-(propoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-8-methyl-7-(propoxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-8-methyl-7-(propoxymethyl)-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-4-7-22(11-18(25)26)21-17(6-9-28-22)19-15(12-23)10-16(13-27-8-5-2)14(3)20(19)24-21/h10,24H,4-9,11,13H2,1-3H3,(H,25,26)