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

Systemtic Name: 2-(1-butan-2-yl-8-chloranyl-5-cyano-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(8-chloro-5-cyano-1-sec-butyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(1-butan-2-yl-8-chloro-5-cyano-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(1-butan-2-yl-8-chloro-5-cyano-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(8-chloro-5-cyano-1-sec-butyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C2=C(CCO1)C3=C(C=CC(=C3N2)Cl)C#N)CC(=O)O

Isomeric SMILES

CCC(C)C1(C2=C(CCO1)C3=C(C=CC(=C3N2)Cl)C#N)CC(=O)O

InChI

InChI=1S/C18H19ClN2O3/c1-3-10(2)18(8-14(22)23)17-12(6-7-24-18)15-11(9-20)4-5-13(19)16(15)21-17/h4-5,10,21H,3,6-8H2,1-2H3,(H,22,23)