ethyl (3S,4S)-4-(4-bromophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (3S,4S)-4-(4-bromophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (3S,4S)-1-benzyl-4-(4-bromophenyl)pyrrolidine-3-carboxylate CAS Name: (3S,4S)-4-(4-bromophenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-1-benzyl-4-(4-bromophenyl)pyrrolidine-3-carboxylate Traditional Name: (3S,4S)-1-benzyl-4-(4-bromophenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC1C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CN(C[C@@H]1C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO2/c1-2-24-20(23)19-14-22(12-15-6-4-3-5-7-15)13-18(19)16-8-10-17(21)11-9-16/h3-11,18-19H,2,12-14H2,1H3/t18-,19-/m1/s1