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

Systemtic Name: 6-[(4-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-[(4-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-[(4-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-[(4-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(4-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=C(C=C4)Br)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=C(C=C4)Br)NC2=CN=C1C(=O)O

InChI

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