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

Systemtic Name: 2-[5-cyano-8-methyl-7-(propan-2-yloxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-7-(isopropoxymethyl)-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-(propan-2-yloxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-8-methyl-7-(propan-2-yloxymethyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-7-(isopropoxymethyl)-8-methyl-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)COC(C)C)C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-5-7-22(10-18(25)26)21-17(6-8-28-22)19-15(11-23)9-16(12-27-13(2)3)14(4)20(19)24-21/h9,13,24H,5-8,10,12H2,1-4H3,(H,25,26)