2-[7-methoxy-1-(pyridin-2-ylmethyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid

Systemtic Name: 2-[7-methoxy-1-(pyridin-2-ylmethyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid Openeye Name: 2-[7-methoxy-1-(2-pyridylmethyl)pyrimido[1,6-a]indol-5-yl]acetic acid CAS Name: 2-[7-methoxy-1-(2-pyridinylmethyl)-5-pyrimido[1,6-a]indolyl]acetic acid IUPAC Name: 2-[7-methoxy-1-(pyridin-2-ylmethyl)pyrimido[1,6-a]indol-5-yl]acetic acid Traditional Name: 2-[7-methoxy-1-(2-pyridylmethyl)pyrimid[1,6-a]indol-5-yl]acetic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N3C(=C2CC(=O)O)C=CN=C3CC4=CC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)N3C(=C2CC(=O)O)C=CN=C3CC4=CC=CC=N4

InChI

InChI=1S/C20H17N3O3/c1-26-14-5-6-17-15(11-14)16(12-20(24)25)18-7-9-22-19(23(17)18)10-13-4-2-3-8-21-13/h2-9,11H,10,12H2,1H3,(H,24,25)