2-(4-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-(4-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-(4-bromophenyl)-2-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)acetic acid CAS Name: 2-(4-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-(4-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-(4-bromophenyl)-2-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)acetic acid Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H25BrN2O4/c1-18(2,3)25-17(24)21-10-4-9-20(11-12-21)15(16(22)23)13-5-7-14(19)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,22,23)