methyl 2-[(2S,3S)-2,3-bis(phenylcarbonyloxymethyl)cyclobutyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(2S,3S)-2,3-bis(phenylcarbonyloxymethyl)cyclobutyl]pyridine-3-carboxylate Openeye Name: methyl 2-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]pyridine-3-carboxylate CAS Name: 2-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]pyridine-3-carboxylate Traditional Name: 2-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]nicotinic acid methyl ester Formula: C27H25NO6 MolecularWeight: 459.4905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)C2CC(C2COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)C2C[C@@H]([C@H]2COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO6/c1-32-27(31)21-13-8-14-28-24(21)22-15-20(16-33-25(29)18-9-4-2-5-10-18)23(22)17-34-26(30)19-11-6-3-7-12-19/h2-14,20,22-23H,15-17H2,1H3/t20-,22?,23-/m1/s1