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

Systemtic Name: O3-ethyl O5-(3-phenylprop-2-ynyl) 2-(4-indazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(3-phenylprop-2-ynyl) 2-(4-indazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[4-(1-indazolyl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(3-phenylprop-2-ynyl) ester IUPAC Name: 3-O-ethyl 5-O-(3-phenylprop-2-ynyl) 2-(4-indazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(4-indazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(3-phenylprop-2-ynyl) ester Formula: C40H35N3O4 MolecularWeight: 621.7236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CC=CC=C3)C)C4=CC=C(C=C4)N5C6=CC=CC=C6C=N5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CC=CC=C3)C)C4=CC=C(C=C4)N5C6=CC=CC=C6C=N5

InChI

InChI=1S/C40H35N3O4/c1-3-46-40(45)37-34(25-20-30-15-8-5-9-16-30)36(39(44)47-26-12-17-29-13-6-4-7-14-29)28(2)42-38(37)31-21-23-33(24-22-31)43-35-19-11-10-18-32(35)27-41-43/h4-11,13-16,18-19,21-24,27,34,42H,3,20,25-26H2,1-2H3