tert-butyl N-[(E,2S,3S)-3-(4-bromophenyl)-1-oxidanylidene-1-pyrrolidin-1-yl-hex-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E,2S,3S)-3-(4-bromophenyl)-1-oxidanylidene-1-pyrrolidin-1-yl-hex-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S,2S)-2-(4-bromophenyl)-1-(pyrrolidine-1-carbonyl)pent-3-enyl]carbamate CAS Name: N-[(E,2S,3S)-3-(4-bromophenyl)-1-oxo-1-(1-pyrrolidinyl)hex-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S,3S)-3-(4-bromophenyl)-1-oxo-1-pyrrolidin-1-ylhex-4-en-2-yl]carbamate Traditional Name: N-[(E,1S,2S)-2-(4-bromophenyl)-1-(pyrrolidine-1-carbonyl)pent-3-enyl]carbamic acid tert-butyl ester Formula: C21H29BrN2O3 MolecularWeight: 437.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C1=CC=C(C=C1)Br)C(C(=O)N2CCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

C/C=C/[C@@H](C1=CC=C(C=C1)Br)[C@@H](C(=O)N2CCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29BrN2O3/c1-5-8-17(15-9-11-16(22)12-10-15)18(19(25)24-13-6-7-14-24)23-20(26)27-21(2,3)4/h5,8-12,17-18H,6-7,13-14H2,1-4H3,(H,23,26)/b8-5+/t17-,18-/m0/s1