methyl 6-[(2S,3S)-2,3-bis(phenylcarbonyloxymethyl)cyclobutyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(2S,3S)-2,3-bis(phenylcarbonyloxymethyl)cyclobutyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]pyridine-3-carboxylate CAS Name: 6-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]pyridine-3-carboxylate Traditional Name: 6-[(2S,3S)-2,3-bis(benzoyloxymethyl)cyclobutyl]nicotinic acid methyl ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO6/c1-32-25(29)20-12-13-24(28-15-20)22-14-21(16-33-26(30)18-8-4-2-5-9-18)23(22)17-34-27(31)19-10-6-3-7-11-19/h2-13,15,21-23H,14,16-17H2,1H3/t21-,22?,23-/m1/s1