O3-ethyl O1-(2-phenyl-1,3-dioxan-5-yl) (3R,4S)-4-(4-bromophenyl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-(2-phenyl-1,3-dioxan-5-yl) (3R,4S)-4-(4-bromophenyl)pyrrolidine-1,3-dicarboxylate Openeye Name: O3-ethyl O1-(2-phenyl-1,3-dioxan-5-yl) (3R,4S)-4-(4-bromophenyl)pyrrolidine-1,3-dicarboxylate CAS Name: (3R,4S)-4-(4-bromophenyl)pyrrolidine-1,3-dicarboxylic acid O3-ethyl ester O1-(2-phenyl-1,3-dioxan-5-yl) ester IUPAC Name: 3-O-ethyl 1-O-(2-phenyl-1,3-dioxan-5-yl) (3R,4S)-4-(4-bromophenyl)pyrrolidine-1,3-dicarboxylate Traditional Name: (3R,4S)-4-(4-bromophenyl)pyrrolidine-1,3-dicarboxylic acid O3-ethyl ester O1-(2-phenyl-1,3-dioxan-5-yl) ester Formula: C24H26BrNO6 MolecularWeight: 504.37034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC1C2=CC=C(C=C2)Br)C(=O)OC3COC(OC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)Br)C(=O)OC3COC(OC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26BrNO6/c1-2-29-22(27)21-13-26(12-20(21)16-8-10-18(25)11-9-16)24(28)32-19-14-30-23(31-15-19)17-6-4-3-5-7-17/h3-11,19-21,23H,2,12-15H2,1H3/t19?,20-,21+,23?/m1/s1