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

Systemtic Name: 6-(4-azanyl-2-methoxy-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(4-amino-2-methoxy-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(4-amino-2-methoxyphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(4-amino-2-methoxyphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(4-amino-2-methoxy-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OC4=C(C=C(C=C4)N)OC)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OC4=C(C=C(C=C4)N)OC)NC2=CN=C1C(=O)O

InChI

InChI=1S/C21H19N3O5/c1-27-10-14-19-13-8-12(29-17-6-3-11(22)7-18(17)28-2)4-5-15(13)24-16(19)9-23-20(14)21(25)26/h3-9,24H,10,22H2,1-2H3,(H,25,26)