2-(5-bromanyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-bromo-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-bromo-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-bromo-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-bromo-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C=CC=C3Br)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C=CC=C3Br)CC(=O)O

InChI

InChI=1S/C16H18BrNO3/c1-2-7-16(9-13(19)20)15-10(6-8-21-16)14-11(17)4-3-5-12(14)18-15/h3-5,18H,2,6-9H2,1H3,(H,19,20)