ethyl (3R,4S)-4-(4-bromophenyl)-1-(6-chloranylpyrimidin-4-yl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (3R,4S)-4-(4-bromophenyl)-1-(6-chloranylpyrimidin-4-yl)pyrrolidine-3-carboxylate Openeye Name: ethyl (3R,4S)-4-(4-bromophenyl)-1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(4-bromophenyl)-1-(6-chloro-4-pyrimidinyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-4-(4-bromophenyl)-1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(4-bromophenyl)-1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C17H17BrClN3O2 MolecularWeight: 410.69278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC1C2=CC=C(C=C2)Br)C3=CC(=NC=N3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)Br)C3=CC(=NC=N3)Cl

InChI

InChI=1S/C17H17BrClN3O2/c1-2-24-17(23)14-9-22(16-7-15(19)20-10-21-16)8-13(14)11-3-5-12(18)6-4-11/h3-7,10,13-14H,2,8-9H2,1H3/t13-,14+/m1/s1