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

Systemtic Name: 2-[5-cyano-7-(hydroxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-7-(hydroxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-7-(hydroxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-7-(hydroxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-(5-cyano-8-methyl-7-methylol-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-3-5-19(8-15(23)24)18-14(4-6-25-19)16-12(9-20)7-13(10-22)11(2)17(16)21-18/h7,21-22H,3-6,8,10H2,1-2H3,(H,23,24)