tert-butyl 4-[[5-(4-bromophenyl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(4-bromophenyl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-bromophenyl)-2-furyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[5-(4-bromophenyl)-2-furanyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-bromophenyl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-bromophenyl)-2-furyl]methylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN2O4/c1-22(2,3)29-21(27)25-12-10-16(11-13-25)20(26)24-14-18-8-9-19(28-18)15-4-6-17(23)7-5-15/h4-9,16H,10-14H2,1-3H3,(H,24,26)