O5-ethyl O2-methyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-6-methyl-1-(3-phenylpropyl)-4H-pyridine-2,5-dicarboxylate

Systemtic Name: O5-ethyl O2-methyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-3-cyano-6-methyl-1-(3-phenylpropyl)-4H-pyridine-2,5-dicarboxylate Openeye Name: O5-ethyl O2-methyl 4-(2-bromo-4,5-dimethoxy-phenyl)-3-cyano-6-methyl-1-(3-phenylpropyl)-4H-pyridine-2,5-dicarboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-3-cyano-6-methyl-1-(3-phenylpropyl)-4H-pyridine-2,5-dicarboxylic acid O5-ethyl ester O2-methyl ester IUPAC Name: 5-O-ethyl 2-O-methyl 4-(2-bromo-4,5-dimethoxyphenyl)-3-cyano-6-methyl-1-(3-phenylpropyl)-4H-pyridine-2,5-dicarboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-3-cyano-6-methyl-1-(3-phenylpropyl)-4H-pyridine-2,5-dicarboxylic acid O5-ethyl ester O2-methyl ester Formula: C29H31BrN2O6 MolecularWeight: 583.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=C(C=C2Br)OC)OC)C#N)C(=O)OC)CCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=C(C=C2Br)OC)OC)C#N)C(=O)OC)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C29H31BrN2O6/c1-6-38-28(33)25-18(2)32(14-10-13-19-11-8-7-9-12-19)27(29(34)37-5)21(17-31)26(25)20-15-23(35-3)24(36-4)16-22(20)30/h7-9,11-12,15-16,26H,6,10,13-14H2,1-5H3