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

Systemtic Name: 6-bromanyl-5-[(E)-(2-methanoyl-6-methoxy-3,4-dihydroisoquinolin-1-ylidene)methyl]-2-methyl-1H-indole-3-carboxylic acid Openeye Name: 6-bromo-5-[(E)-(2-formyl-6-methoxy-3,4-dihydroisoquinolin-1-ylidene)methyl]-2-methyl-1H-indole-3-carboxylic acid CAS Name: 6-bromo-5-[(E)-(2-formyl-6-methoxy-3,4-dihydroisoquinolin-1-ylidene)methyl]-2-methyl-1H-indole-3-carboxylic acid IUPAC Name: 6-bromo-5-[(E)-(2-formyl-6-methoxy-3,4-dihydroisoquinolin-1-ylidene)methyl]-2-methyl-1H-indole-3-carboxylic acid Traditional Name: 6-bromo-5-[(E)-(2-formyl-6-methoxy-3,4-dihydroisoquinolin-1-ylidene)methyl]-2-methyl-1H-indole-3-carboxylic acid Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1)Br)C=C3C4=C(CCN3C=O)C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1)Br)/C=C/3\C4=C(CCN3C=O)C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C22H19BrN2O4/c1-12-21(22(27)28)17-8-14(18(23)10-19(17)24-12)9-20-16-4-3-15(29-2)7-13(16)5-6-25(20)11-26/h3-4,7-11,24H,5-6H2,1-2H3,(H,27,28)/b20-9+