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

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

CCCCOC1=C(C2=C(C3=C(N2)C(OCC3)(CCC)CC(=O)O)C(=C1)C#N)C

Isomeric SMILES

CCCCOC1=C(C2=C(C3=C(N2)C(OCC3)(CCC)CC(=O)O)C(=C1)C#N)C

InChI

InChI=1S/C22H28N2O4/c1-4-6-9-27-17-11-15(13-23)19-16-7-10-28-22(8-5-2,12-18(25)26)21(16)24-20(19)14(17)3/h11,24H,4-10,12H2,1-3H3,(H,25,26)