2-[5-cyano-7-(ethoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-7-(ethoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-7-(ethoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-7-(ethoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-7-(ethoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-7-(ethoxymethyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-4-7-21(10-17(24)25)20-16(6-8-27-21)18-14(11-22)9-15(12-26-5-2)13(3)19(18)23-20/h9,23H,4-8,10,12H2,1-3H3,(H,24,25)