4-(methoxymethyl)-6-[(2-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-6-[(2-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-6-(o-tolylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-6-[(2-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-6-[(2-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-6-(2-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=CC=C1COC2=CC3=C(C=C2)NC4=CN=C(C(=C34)COC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1COC2=CC3=C(C=C2)NC4=CN=C(C(=C34)COC)C(=O)O

InChI

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