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

Systemtic Name: 5-(3-chloranylphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(3-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(3-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-(3-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(3-chlorophenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C20H15ClN2O4 MolecularWeight: 382.7971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OC4=CC(=CC=C4)Cl

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H15ClN2O4/c1-26-10-13-17-15(9-22-19(13)20(24)25)23-14-6-3-7-16(18(14)17)27-12-5-2-4-11(21)8-12/h2-9,23H,10H2,1H3,(H,24,25)