2-[5-cyano-1-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-1-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-1-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-cyano-1-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-cyano-1-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-1-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2(C3=C(CCO2)C4=C(C=CC=C4N3)C#N)CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2(C3=C(CCO2)C4=C(C=CC=C4N3)C#N)CC(=O)O

InChI

InChI=1S/C23H22N2O6/c1-28-17-9-14(10-18(29-2)21(17)30-3)23(11-19(26)27)22-15(7-8-31-23)20-13(12-24)5-4-6-16(20)25-22/h4-6,9-10,25H,7-8,11H2,1-3H3,(H,26,27)