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

Systemtic Name: 4-(methoxymethyl)-5-[(4-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-5-(p-tolylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-5-[(4-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-[(4-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-5-(4-methylbenzyl)oxy-9H-$b-carboline-3-carboxylic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC3=C2C4=C(C(=NC=C4N3)C(=O)O)COC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC3=C2C4=C(C(=NC=C4N3)C(=O)O)COC

InChI

InChI=1S/C22H20N2O4/c1-13-6-8-14(9-7-13)11-28-18-5-3-4-16-20(18)19-15(12-27-2)21(22(25)26)23-10-17(19)24-16/h3-10,24H,11-12H2,1-2H3,(H,25,26)