5-[(3-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-[(3-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-[(3-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-[(3-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-[(3-bromophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(3-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=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OCC4=CC(=CC=C4)Br

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OCC4=CC(=CC=C4)Br

InChI

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