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

Systemtic Name: 6-[(2-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-[(2-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-[(2-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-[(2-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(2-bromobenzyl)oxy-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4Br)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4Br)NC2=CN=C1C(=O)O

InChI

InChI=1S/C21H17BrN2O4/c1-27-11-15-19-14-8-13(28-10-12-4-2-3-5-16(12)22)6-7-17(14)24-18(19)9-23-20(15)21(25)26/h2-9,24H,10-11H2,1H3,(H,25,26)