6-isoquinolin-1-yloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-isoquinolin-1-yloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(1-isoquinolyloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(1-isoquinolinyloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-isoquinolin-1-yloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(1-isoquinolyloxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OC4=NC=CC5=CC=CC=C54)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OC4=NC=CC5=CC=CC=C54)NC2=CN=C1C(=O)O

InChI

InChI=1S/C23H17N3O4/c1-29-12-17-20-16-10-14(30-22-15-5-3-2-4-13(15)8-9-24-22)6-7-18(16)26-19(20)11-25-21(17)23(27)28/h2-11,26H,12H2,1H3,(H,27,28)