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

Systemtic Name: 2-[5-cyano-8-methyl-1-propyl-7-(thiophen-3-ylmethoxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-8-methyl-1-propyl-7-(3-thienylmethoxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-8-methyl-1-propyl-7-(3-thiophenylmethoxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-8-methyl-1-propyl-7-(thiophen-3-ylmethoxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-8-methyl-1-propyl-7-(3-thenyloxymethyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)COCC4=CSC=C4)C)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3C#N)COCC4=CSC=C4)C)CC(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-3-6-24(10-20(27)28)23-19(4-7-30-24)21-17(11-25)9-18(15(2)22(21)26-23)13-29-12-16-5-8-31-14-16/h5,8-9,14,26H,3-4,6-7,10,12-13H2,1-2H3,(H,27,28)