5-(1,3-benzodioxol-5-ylmethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-5-piperonyloxy-9H-$b-carboline-3-carboxylic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O6/c1-27-10-13-19-15(8-23-21(13)22(25)26)24-14-3-2-4-17(20(14)19)28-9-12-5-6-16-18(7-12)30-11-29-16/h2-8,24H,9-11H2,1H3,(H,25,26)