methyl 2-[(1R,5R,8aR)-3-oxidanylidene-1-[(1S)-1-phenylmethoxyhexyl]-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-5-yl]ethanoate

Systemtic Name: methyl 2-[(1R,5R,8aR)-3-oxidanylidene-1-[(1S)-1-phenylmethoxyhexyl]-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-5-yl]ethanoate Openeye Name: methyl 2-[(1R,5R,8aR)-1-[(1S)-1-benzyloxyhexyl]-3-oxo-1,5,6,8a-tetrahydrooxazolo[3,4-a]pyridin-5-yl]acetate CAS Name: 2-[(1R,5R,8aR)-3-oxo-1-[(1S)-1-phenylmethoxyhexyl]-1,5,6,8a-tetrahydrooxazolo[3,4-a]pyridin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,5R,8aR)-3-oxo-1-[(1S)-1-phenylmethoxyhexyl]-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-5-yl]acetate Traditional Name: 2-[(1R,5R,8aR)-1-[(1S)-1-benzoxyhexyl]-3-keto-1,5,6,8a-tetrahydrooxazolo[3,4-a]pyridin-5-yl]acetic acid methyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1C2C=CCC(N2C(=O)O1)CC(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC[C@@H]([C@H]1[C@H]2C=CC[C@@H](N2C(=O)O1)CC(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31NO5/c1-3-4-6-14-20(28-16-17-10-7-5-8-11-17)22-19-13-9-12-18(15-21(25)27-2)24(19)23(26)29-22/h5,7-11,13,18-20,22H,3-4,6,12,14-16H2,1-2H3/t18-,19-,20+,22-/m1/s1