7-bromanyl-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-bromanyl-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-bromo-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-bromo-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-bromo-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-bromo-1-m-anisyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C19H18BrNO3 MolecularWeight: 388.25512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(=CC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(=CC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C19H18BrNO3/c1-24-17-4-2-3-13(9-17)12-21-8-7-14(19(22)23)10-15-11-16(20)5-6-18(15)21/h2-6,9-11H,7-8,12H2,1H3,(H,22,23)