O3-ethyl O5-(4-phenylbut-3-ynyl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(4-phenylbut-3-ynyl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(4-phenylbut-3-ynyl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[4-(1-imidazolyl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(4-phenylbut-3-ynyl) ester IUPAC Name: 3-O-ethyl 5-O-(4-phenylbut-3-ynyl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(4-phenylbut-3-ynyl) ester Formula: C37H35N3O4 MolecularWeight: 585.6915

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCCC#CC3=CC=CC=C3)C)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCCC#CC3=CC=CC=C3)C)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C37H35N3O4/c1-3-43-37(42)34-32(22-17-29-14-8-5-9-15-29)33(36(41)44-25-11-10-16-28-12-6-4-7-13-28)27(2)39-35(34)30-18-20-31(21-19-30)40-24-23-38-26-40/h4-9,12-15,18-21,23-24,26,32,39H,3,11,17,22,25H2,1-2H3