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

Systemtic Name: 6-(2-azanyl-4-methoxy-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(2-amino-4-methoxy-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(2-amino-4-methoxyphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(2-amino-4-methoxyphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(2-amino-4-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)OC)N)NC2=CN=C1C(=O)O

Isomeric SMILES

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

InChI

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