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

Systemtic Name: 2-(1-butyl-8-chloranyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(1-butyl-8-chloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(1-butyl-8-chloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(1-butyl-8-chloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(1-butyl-8-chloro-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(CCO1)C3=C(N2)C(=CC=C3)Cl)CC(=O)O

Isomeric SMILES

CCCCC1(C2=C(CCO1)C3=C(N2)C(=CC=C3)Cl)CC(=O)O

InChI

InChI=1S/C17H20ClNO3/c1-2-3-8-17(10-14(20)21)16-12(7-9-22-17)11-5-4-6-13(18)15(11)19-16/h4-6,19H,2-3,7-10H2,1H3,(H,20,21)