O3-ethyl O5-(3-phenylprop-2-ynyl) 2-[3-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(3-phenylprop-2-ynyl) 2-[3-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(3-phenylprop-2-ynyl) 2-[3-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-(1-benzotriazolyl)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-[3-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[3-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(3-phenylprop-2-ynyl) ester Formula: C39H34N4O4 MolecularWeight: 622.71166

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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(=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CC=CC=C3)C)C4=CC(=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C39H34N4O4/c1-3-46-39(45)36-32(24-23-29-16-8-5-9-17-29)35(38(44)47-25-13-18-28-14-6-4-7-15-28)27(2)40-37(36)30-19-12-20-31(26-30)43-34-22-11-10-21-33(34)41-42-43/h4-12,14-17,19-22,26,32,40H,3,23-25H2,1-2H3