5-[(3-bromanyl-5-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid

Systemtic Name: 5-[(3-bromanyl-5-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid Openeye Name: 5-[(3-bromo-5-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid CAS Name: 5-[(3-bromo-5-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid IUPAC Name: 5-[(3-bromo-5-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid Traditional Name: 5-(3-bromo-5-methoxy-benzyl)-7,8,9,10-tetrahydro-6H-cyclohept[b]indole-4-carboxylic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C3=C(CCCCC3)C4=C2C(=CC=C4)C(=O)O)Br

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C3=C(CCCCC3)C4=C2C(=CC=C4)C(=O)O)Br

InChI

InChI=1S/C22H22BrNO3/c1-27-16-11-14(10-15(23)12-16)13-24-20-9-4-2-3-6-17(20)18-7-5-8-19(21(18)24)22(25)26/h5,7-8,10-12H,2-4,6,9,13H2,1H3,(H,25,26)