5-(1H-isoquinolin-2-yloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-(1H-isoquinolin-2-yloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(1H-isoquinolin-2-yloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(1H-isoquinolin-2-yloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-(1H-isoquinolin-2-yloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(1H-isoquinolin-2-yloxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)ON4CC5=CC=CC=C5C=C4

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)ON4CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H19N3O4/c1-29-13-16-20-18(11-24-22(16)23(27)28)25-17-7-4-8-19(21(17)20)30-26-10-9-14-5-2-3-6-15(14)12-26/h2-11,25H,12-13H2,1H3,(H,27,28)