ethyl 4-acetyloxy-3-(hydroxymethyl)-2,6-diphenyl-5-pyridin-3-yl-benzoate

Systemtic Name: ethyl 4-acetyloxy-3-(hydroxymethyl)-2,6-diphenyl-5-pyridin-3-yl-benzoate Openeye Name: ethyl 4-acetoxy-3-(hydroxymethyl)-2,6-diphenyl-5-(3-pyridyl)benzoate CAS Name: 4-acetyloxy-3-(hydroxymethyl)-2,6-diphenyl-5-(3-pyridinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-acetyloxy-3-(hydroxymethyl)-2,6-diphenyl-5-pyridin-3-ylbenzoate Traditional Name: 4-acetoxy-3-methylol-2,6-diphenyl-5-(3-pyridyl)benzoic acid ethyl ester Formula: C29H25NO5 MolecularWeight: 467.5125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CN=CC=C3)OC(=O)C)CO)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CN=CC=C3)OC(=O)C)CO)C4=CC=CC=C4

InChI

InChI=1S/C29H25NO5/c1-3-34-29(33)27-24(20-11-6-4-7-12-20)23(18-31)28(35-19(2)32)26(22-15-10-16-30-17-22)25(27)21-13-8-5-9-14-21/h4-17,31H,3,18H2,1-2H3