6-bromanyl-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methyl-1H-indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methyl-1H-indole-3-carboxylic acid Openeye Name: 6-bromo-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methyl-1H-indole-3-carboxylic acid CAS Name: 6-bromo-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methyl-1H-indole-3-carboxylic acid IUPAC Name: 6-bromo-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methyl-1H-indole-3-carboxylic acid Traditional Name: 6-bromo-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methyl-1H-indole-3-carboxylic acid Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1)Br)CC3=NCCC4=C3C=CC(=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1)Br)CC3=NCCC4=C3C=CC(=C4)OC)C(=O)O

InChI

InChI=1S/C21H19BrN2O3/c1-11-20(21(25)26)16-8-13(17(22)10-19(16)24-11)9-18-15-4-3-14(27-2)7-12(15)5-6-23-18/h3-4,7-8,10,24H,5-6,9H2,1-2H3,(H,25,26)