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

Systemtic Name: 6-(4-azanyl-3-methyl-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(4-amino-3-methyl-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(4-amino-3-methylphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(4-amino-3-methylphenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(4-amino-3-methyl-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC3=C(C=C2)NC4=CN=C(C(=C34)COC)C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC3=C(C=C2)NC4=CN=C(C(=C34)COC)C(=O)O)N

InChI

InChI=1S/C21H19N3O4/c1-11-7-12(3-5-16(11)22)28-13-4-6-17-14(8-13)19-15(10-27-2)20(21(25)26)23-9-18(19)24-17/h3-9,24H,10,22H2,1-2H3,(H,25,26)