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

Systemtic Name: 2-[5-cyano-8-methyl-7-(4-methylpentylcarbamoyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-7-(isohexylcarbamoyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-8-methyl-7-[(4-methylpentylamino)-oxomethyl]-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-8-methyl-7-(4-methylpentylcarbamoyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-7-(isohexylcarbamoyl)-8-methyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4/c1-5-9-25(13-20(29)30)23-18(8-11-32-25)21-17(14-26)12-19(16(4)22(21)28-23)24(31)27-10-6-7-15(2)3/h12,15,28H,5-11,13H2,1-4H3,(H,27,31)(H,29,30)