2-[2-bromanyl-4-(dimethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-(dimethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]ethanoic acid Openeye Name: 2-[2-bromo-4-(dimethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetic acid CAS Name: 2-[2-bromo-4-(dimethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetic acid IUPAC Name: 2-[2-bromo-4-(dimethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetic acid Traditional Name: 2-[2-bromo-4-(dimethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetic acid Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=CC(=C1)Br)C(C3=CC=CC=C3CO2)CC(=O)O

Isomeric SMILES

CN(C)C1=C2C(=CC(=C1)Br)C(C3=CC=CC=C3CO2)CC(=O)O

InChI

InChI=1S/C18H18BrNO3/c1-20(2)16-8-12(19)7-15-14(9-17(21)22)13-6-4-3-5-11(13)10-23-18(15)16/h3-8,14H,9-10H2,1-2H3,(H,21,22)