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

Systemtic Name: 4-(methoxymethyl)-5-[(3-methoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-5-[(3-methoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-5-[(3-methoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-[(3-methoxyphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-m-anisyloxy-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5/c1-27-12-15-19-17(10-23-21(15)22(25)26)24-16-7-4-8-18(20(16)19)29-11-13-5-3-6-14(9-13)28-2/h3-10,24H,11-12H2,1-2H3,(H,25,26)