2-[7-[(4-bromanylbutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate

Systemtic Name: 2-[7-[(4-bromanylbutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate Openeye Name: 2-[7-[(4-bromobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate CAS Name: 2-[7-[[(4-bromo-1-oxobutyl)amino]methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate IUPAC Name: 2-[7-[(4-bromobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate Traditional Name: 2-[7-[(4-bromobutanoylamino)methyl]-8,9-dihydro-5H-benzocyclohepten-9-yl]acetate Formula: C18H21BrNO3- MolecularWeight: 379.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])CNC(=O)CCCBr

Isomeric SMILES

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])CNC(=O)CCCBr

InChI

InChI=1S/C18H22BrNO3/c19-9-3-6-17(21)20-12-13-7-8-14-4-1-2-5-16(14)15(10-13)11-18(22)23/h1-2,4-5,7,15H,3,6,8-12H2,(H,20,21)(H,22,23)/p-1