ethyl 5-methanoyl-4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-methanoyl-4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate Openeye Name: ethyl 4-(2-benzyloxyphenyl)-5-formyl-2,6-diisopropyl-pyridine-3-carboxylate CAS Name: 5-formyl-4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-formyl-4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-5-formyl-2,6-diisopropyl-nicotinic acid ethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2OCC3=CC=CC=C3)C=O)C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2OCC3=CC=CC=C3)C=O)C(C)C)C(C)C

InChI

InChI=1S/C28H31NO4/c1-6-32-28(31)25-24(22(16-30)26(18(2)3)29-27(25)19(4)5)21-14-10-11-15-23(21)33-17-20-12-8-7-9-13-20/h7-16,18-19H,6,17H2,1-5H3