2-(8-chloranyl-5-cyano-1,6-dimethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(8-chloranyl-5-cyano-1,6-dimethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(8-chloro-5-cyano-1,6-dimethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(8-chloro-5-cyano-1,6-dimethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(8-chloro-5-cyano-1,6-dimethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(8-chloro-5-cyano-1,6-dimethyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C#N)C3=C(N2)C(OCC3)(C)CC(=O)O)Cl

Isomeric SMILES

CC1=CC(=C2C(=C1C#N)C3=C(N2)C(OCC3)(C)CC(=O)O)Cl

InChI

InChI=1S/C16H15ClN2O3/c1-8-5-11(17)14-13(10(8)7-18)9-3-4-22-16(2,6-12(20)21)15(9)19-14/h5,19H,3-4,6H2,1-2H3,(H,20,21)