O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-(4-indol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-(4-indol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[3-(3-pyridyl)prop-2-ynyl] 2-(4-indol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[4-(1-indolyl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridinyl)prop-2-ynyl] ester IUPAC Name: 3-O-ethyl 5-O-(3-pyridin-3-ylprop-2-ynyl) 2-(4-indol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(4-indol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridyl)prop-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=CN=CC=C3)C)C4=CC=C(C=C4)N5C=CC6=CC=CC=C65

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC=C(C=C4)N5C=CC6=CC=CC=C65

InChI

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