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

Systemtic Name: methyl 7-bromanyl-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-bromo-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-bromo-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-1-[(3-methoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-bromo-1-m-anisyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-24-18-5-3-4-14(10-18)13-22-9-8-15(20(23)25-2)11-16-12-17(21)6-7-19(16)22/h3-7,10-12H,8-9,13H2,1-2H3