5-[(3,4,5-trimethoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-[(3,4,5-trimethoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-[(3,4,5-trimethoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-[(3,4,5-trimethoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(3,4,5-trimethoxybenzyl)oxy-9H-$b-carboline-3-carboxylic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC2=CC=CC3=C2C4=CC(=NC=C4N3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC2=CC=CC3=C2C4=CC(=NC=C4N3)C(=O)O

InChI

InChI=1S/C22H20N2O6/c1-27-18-7-12(8-19(28-2)21(18)29-3)11-30-17-6-4-5-14-20(17)13-9-15(22(25)26)23-10-16(13)24-14/h4-10,24H,11H2,1-3H3,(H,25,26)