2-(8-cyclohexyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(8-cyclohexyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(8-cyclohexyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(8-cyclohexyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(8-cyclohexyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(8-cyclohexyl-1-ethyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(CCO1)C3=C(N2)C(=CC=C3)C4CCCCC4)CC(=O)O

Isomeric SMILES

CCC1(C2=C(CCO1)C3=C(N2)C(=CC=C3)C4CCCCC4)CC(=O)O

InChI

InChI=1S/C21H27NO3/c1-2-21(13-18(23)24)20-17(11-12-25-21)16-10-6-9-15(19(16)22-20)14-7-4-3-5-8-14/h6,9-10,14,22H,2-5,7-8,11-13H2,1H3,(H,23,24)