[(3R,6S)-3,7-dimethyl-6-(naphthalen-1-ylcarbamoyloxy)-7-oxidanyl-oct-1-en-3-yl] ethanoate

Systemtic Name: [(3R,6S)-3,7-dimethyl-6-(naphthalen-1-ylcarbamoyloxy)-7-oxidanyl-oct-1-en-3-yl] ethanoate Openeye Name: [(1R,4S)-5-hydroxy-1,5-dimethyl-4-(1-naphthylcarbamoyloxy)-1-vinyl-hexyl] acetate CAS Name: acetic acid [(3R,6S)-7-hydroxy-3,7-dimethyl-6-[(1-naphthalenylamino)-oxomethoxy]oct-1-en-3-yl] ester IUPAC Name: [(3R,6S)-7-hydroxy-3,7-dimethyl-6-(naphthalen-1-ylcarbamoyloxy)oct-1-en-3-yl] acetate Traditional Name: acetic acid [(1R)-1-[(3S)-4-hydroxy-4-methyl-3-(1-naphthylcarbamoyloxy)pentyl]-1-methyl-allyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(CCC(C(C)(C)O)OC(=O)NC1=CC=CC2=CC=CC=C21)C=C

Isomeric SMILES

CC(=O)O[C@](C)(CC[C@@H](C(C)(C)O)OC(=O)NC1=CC=CC2=CC=CC=C21)C=C

InChI

InChI=1S/C23H29NO5/c1-6-23(5,29-16(2)25)15-14-20(22(3,4)27)28-21(26)24-19-13-9-11-17-10-7-8-12-18(17)19/h6-13,20,27H,1,14-15H2,2-5H3,(H,24,26)/t20-,23-/m0/s1