(phenylmethyl) 2-[4-(5-bromanylfuran-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(5-bromanylfuran-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(5-bromo-2-furanyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(5-bromo-2-furoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C19H21BrN2O4 MolecularWeight: 421.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(O2)Br)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(O2)Br)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O4/c20-17-8-7-16(26-17)19(24)22-10-4-9-21(11-12-22)13-18(23)25-14-15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2