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

Systemtic Name: 2-[5-cyano-1-(cyclopentylmethyl)-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-1-(cyclopentylmethyl)-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-1-(cyclopentylmethyl)-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-1-(cyclopentylmethyl)-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-1-(cyclopentylmethyl)-8-methyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C#N)C3=C(N2)C(OCC3)(CC4CCCC4)CC(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)C#N)C3=C(N2)C(OCC3)(CC4CCCC4)CC(=O)O

InChI

InChI=1S/C21H24N2O3/c1-13-6-7-15(12-22)18-16-8-9-26-21(11-17(24)25,20(16)23-19(13)18)10-14-4-2-3-5-14/h6-7,14,23H,2-5,8-11H2,1H3,(H,24,25)