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

Systemtic Name: 2-[7-(but-2-ynoxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[7-(but-2-ynoxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[7-(but-2-ynoxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[7-(but-2-ynoxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[7-(but-2-ynoxymethyl)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-4-6-9-28-14-17-11-16(13-24)20-18-7-10-29-23(8-5-2,12-19(26)27)22(18)25-21(20)15(17)3/h11,25H,5,7-10,12,14H2,1-3H3,(H,26,27)