(3aS,7aR)-2-hex-5-ynyl-3-methoxy-3a,4,7,7a-tetrahydro-3H-isoindol-1-one

Systemtic Name: (3aS,7aR)-2-hex-5-ynyl-3-methoxy-3a,4,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: (3aS,7aR)-2-hex-5-ynyl-3-methoxy-3a,4,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: (3aS,7aR)-2-hex-5-ynyl-3-methoxy-3a,4,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: (3aS,7aR)-2-hex-5-ynyl-3-methoxy-3a,4,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: (3aS,7aR)-2-hex-5-ynyl-3-methoxy-3a,4,7,7a-tetrahydro-3H-isoindol-1-one Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2CC=CCC2C(=O)N1CCCCC#C

Isomeric SMILES

COC1[C@H]2CC=CC[C@H]2C(=O)N1CCCCC#C

InChI

InChI=1S/C15H21NO2/c1-3-4-5-8-11-16-14(17)12-9-6-7-10-13(12)15(16)18-2/h1,6-7,12-13,15H,4-5,8-11H2,2H3/t12-,13+,15?/m1/s1