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

Systemtic Name: 2-(5-bromanyl-1-butyl-8-chloranyl-6-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-bromo-1-butyl-8-chloro-6-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-bromo-1-butyl-8-chloro-6-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-bromo-1-butyl-8-chloro-6-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-bromo-1-butyl-8-chloro-6-methyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C18H21BrClNO3 MolecularWeight: 414.72124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(CCO1)C3=C(C(=CC(=C3N2)Cl)C)Br)CC(=O)O

Isomeric SMILES

CCCCC1(C2=C(CCO1)C3=C(C(=CC(=C3N2)Cl)C)Br)CC(=O)O

InChI

InChI=1S/C18H21BrClNO3/c1-3-4-6-18(9-13(22)23)17-11(5-7-24-18)14-15(19)10(2)8-12(20)16(14)21-17/h8,21H,3-7,9H2,1-2H3,(H,22,23)