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

Systemtic Name: 2-(8-bromanyl-1-ethyl-4-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(8-bromo-1-ethyl-4-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(8-bromo-1-ethyl-4-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(8-bromo-1-ethyl-4-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(8-bromo-1-ethyl-4-methyl-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:

CCC1(C2=C(C(CO1)C)C3=C(N2)C(=CC=C3)Br)CC(=O)O

Isomeric SMILES

CCC1(C2=C(C(CO1)C)C3=C(N2)C(=CC=C3)Br)CC(=O)O

InChI

InChI=1S/C16H18BrNO3/c1-3-16(7-12(19)20)15-13(9(2)8-21-16)10-5-4-6-11(17)14(10)18-15/h4-6,9,18H,3,7-8H2,1-2H3,(H,19,20)