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

Systemtic Name: 2-(5-cyano-1-cyclopentyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-1-cyclopentyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-cyano-1-cyclopentyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-cyano-1-cyclopentyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-cyano-1-cyclopentyl-8-methyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C#N)C3=C(N2)C(OCC3)(CC(=O)O)C4CCCC4

Isomeric SMILES

CC1=C2C(=C(C=C1)C#N)C3=C(N2)C(OCC3)(CC(=O)O)C4CCCC4

InChI

InChI=1S/C20H22N2O3/c1-12-6-7-13(11-21)17-15-8-9-25-20(10-16(23)24,14-4-2-3-5-14)19(15)22-18(12)17/h6-7,14,22H,2-5,8-10H2,1H3,(H,23,24)