5-bromanyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid

Systemtic Name: 5-bromanyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid Openeye Name: 5-bromo-1-(2-ethoxy-2-oxo-ethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid CAS Name: 5-bromo-1-(2-ethoxy-2-oxoethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid IUPAC Name: 5-bromo-1-(2-ethoxy-2-oxoethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid Traditional Name: 5-bromo-1-(2-ethoxy-2-keto-ethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indole-7-carboxylic acid Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(C=C(C(=C3N2)C)C(=O)O)Br)CC(=O)OCC

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=C(C(=C3N2)C)C(=O)O)Br)CC(=O)OCC

InChI

InChI=1S/C20H24BrNO5/c1-4-7-20(10-15(23)26-5-2)18-12(6-8-27-20)16-14(21)9-13(19(24)25)11(3)17(16)22-18/h9,22H,4-8,10H2,1-3H3,(H,24,25)