O6-methyl O1-(phenylmethyl) (3S)-2-(4-bromophenyl)-3-methyl-3,6-dihydro-2H-pyridine-1,6-dicarboxylate

Systemtic Name: O6-methyl O1-(phenylmethyl) (3S)-2-(4-bromophenyl)-3-methyl-3,6-dihydro-2H-pyridine-1,6-dicarboxylate Openeye Name: O1-benzyl O6-methyl (3S)-2-(4-bromophenyl)-3-methyl-3,6-dihydro-2H-pyridine-1,6-dicarboxylate CAS Name: (3S)-2-(4-bromophenyl)-3-methyl-3,6-dihydro-2H-pyridine-1,6-dicarboxylic acid O6-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-methyl (3S)-2-(4-bromophenyl)-3-methyl-3,6-dihydro-2H-pyridine-1,6-dicarboxylate Traditional Name: (3S)-2-(4-bromophenyl)-3-methyl-3,6-dihydro-2H-pyridine-1,6-dicarboxylic acid O1-benzyl ester O6-methyl ester Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(N(C1C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@H]1C=CC(N(C1C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22BrNO4/c1-15-8-13-19(21(25)27-2)24(20(15)17-9-11-18(23)12-10-17)22(26)28-14-16-6-4-3-5-7-16/h3-13,15,19-20H,14H2,1-2H3/t15-,19?,20?/m0/s1