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

Systemtic Name: 2-(5-cyano-8-methyl-1-propyl-4,4a,9,9a-tetrahydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-8-methyl-1-propyl-4,4a,9,9a-tetrahydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-cyano-8-methyl-1-propyl-4,4a,9,9a-tetrahydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-cyano-8-methyl-1-propyl-4,4a,9,9a-tetrahydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-cyano-8-methyl-1-propyl-4,4a,9,9a-tetrahydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2C(CCO1)C3=C(C=CC(=C3N2)C)C#N)CC(=O)O

Isomeric SMILES

CCCC1(C2C(CCO1)C3=C(C=CC(=C3N2)C)C#N)CC(=O)O

InChI

InChI=1S/C18H22N2O3/c1-3-7-18(9-14(21)22)17-13(6-8-23-18)15-12(10-19)5-4-11(2)16(15)20-17/h4-5,13,17,20H,3,6-9H2,1-2H3,(H,21,22)