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

Systemtic Name: 6-(4-azanyl-3-chloranyl-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(4-amino-3-chloro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(4-amino-3-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(4-amino-3-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(4-amino-3-chloro-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O4/c1-27-9-13-18-12-6-10(28-11-2-4-15(22)14(21)7-11)3-5-16(12)24-17(18)8-23-19(13)20(25)26/h2-8,24H,9,22H2,1H3,(H,25,26)