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

Systemtic Name: 5-isoquinolin-1-yloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(1-isoquinolyloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(1-isoquinolinyloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-isoquinolin-1-yloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(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=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OC4=NC=CC5=CC=CC=C54

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OC4=NC=CC5=CC=CC=C54

InChI

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