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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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