5-cyano-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-cyano-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-cyano-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-cyano-1-(2-ethoxy-2-oxoethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid IUPAC Name: 5-cyano-1-(2-ethoxy-2-oxoethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid Traditional Name: 5-cyano-1-(2-ethoxy-2-keto-ethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indole-7-carboxylic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)C(=O)O)C)CC(=O)OCC

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)C(=O)O)C)CC(=O)OCC

InChI

InChI=1S/C21H24N2O5/c1-4-7-21(10-16(24)27-5-2)19-14(6-8-28-21)17-13(11-22)9-15(20(25)26)12(3)18(17)23-19/h9,23H,4-8,10H2,1-3H3,(H,25,26)