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

Systemtic Name: 2-(5-cyano-8-methyl-7-oxidanyl-7-propyl-3,4,4b,9-tetrahydro-1H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-7-hydroxy-8-methyl-7-propyl-3,4,4b,9-tetrahydro-1H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-cyano-7-hydroxy-8-methyl-7-propyl-3,4,4b,9-tetrahydro-1H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-cyano-7-hydroxy-8-methyl-7-propyl-3,4,4b,9-tetrahydro-1H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-cyano-7-hydroxy-8-methyl-7-propyl-3,4,4b,9-tetrahydro-1H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=C(C2C3=C(C(OCC3)CC(=O)O)NC2=C1C)C#N)O

Isomeric SMILES

CCCC1(C=C(C2C3=C(C(OCC3)CC(=O)O)NC2=C1C)C#N)O

InChI

InChI=1S/C18H22N2O4/c1-3-5-18(23)8-11(9-19)15-12-4-6-24-13(7-14(21)22)17(12)20-16(15)10(18)2/h8,13,15,20,23H,3-7H2,1-2H3,(H,21,22)