1-(carboxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid Openeye Name: 1-(carboxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid CAS Name: 1-(carboxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid IUPAC Name: 1-(carboxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole-7-carboxylic acid Traditional Name: 1-(carboxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indole-7-carboxylic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-3-5-19(8-14(22)23)17-12(4-6-26-19)15-11(9-20)7-13(18(24)25)10(2)16(15)21-17/h7,21H,3-6,8H2,1-2H3,(H,22,23)(H,24,25)