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

Systemtic Name: O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-[4-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[3-(3-pyridyl)prop-2-ynyl] 2-[4-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[4-(1-benzotriazolyl)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-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[4-(benzotriazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C38H33N5O4 MolecularWeight: 623.69972

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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)N5C6=CC=CC=C6N=N5

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)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C38H33N5O4/c1-3-46-38(45)35-31(22-17-27-11-5-4-6-12-27)34(37(44)47-24-10-14-28-13-9-23-39-25-28)26(2)40-36(35)29-18-20-30(21-19-29)43-33-16-8-7-15-32(33)41-42-43/h4-9,11-13,15-16,18-21,23,25,31,40H,3,17,22,24H2,1-2H3