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

Systemtic Name: 4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-benzyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-benzoxy-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-26-12-14-18-16(10-22-20(14)21(24)25)23-15-8-5-9-17(19(15)18)27-11-13-6-3-2-4-7-13/h2-10,23H,11-12H2,1H3,(H,24,25)