O3-ethyl O5-methyl 2-(3-bromanyl-3-phenyl-propyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-(3-bromanyl-3-phenyl-propyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-(3-bromo-3-phenyl-propyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(3-bromo-3-phenylpropyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-(3-bromo-3-phenylpropyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(3-bromo-3-phenyl-propyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C26H27BrClNO4 MolecularWeight: 532.85388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OC)C)CCC(C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OC)C)CCC(C3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrClNO4/c1-4-33-26(31)24-21(14-13-20(27)17-9-6-5-7-10-17)29-16(2)22(25(30)32-3)23(24)18-11-8-12-19(28)15-18/h5-12,15,20,23,29H,4,13-14H2,1-3H3