methyl 1-[(4-bromophenyl)methyl]-4-(3-cyanophenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[(4-bromophenyl)methyl]-4-(3-cyanophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-[(4-bromophenyl)methyl]-4-(3-cyanophenyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-4-(3-cyanophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-bromophenyl)methyl]-4-(3-cyanophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-(4-bromobenzyl)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O2/c1-25-20(24)19-13-23(11-14-5-7-17(21)8-6-14)12-18(19)16-4-2-3-15(9-16)10-22/h2-9,18-19H,11-13H2,1H3