[(1R,5S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethynyl-4-methyl-cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [(1R,5S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethynyl-4-methyl-cyclohex-3-en-1-yl] ethanoate Openeye Name: [(1R,5S)-5-(1,3-dioxoisoindolin-2-yl)-3-ethynyl-4-methyl-cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [(1R,5S)-5-(1,3-dioxo-2-isoindolyl)-3-ethynyl-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5S)-5-(1,3-dioxoisoindol-2-yl)-3-ethynyl-4-methylcyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [(1R,5S)-3-ethynyl-4-methyl-5-phthalimido-cyclohex-3-en-1-yl] ester Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)C#C

Isomeric SMILES

CC1=C(C[C@H](C[C@@H]1N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)C#C

InChI

InChI=1S/C19H17NO4/c1-4-13-9-14(24-12(3)21)10-17(11(13)2)20-18(22)15-7-5-6-8-16(15)19(20)23/h1,5-8,14,17H,9-10H2,2-3H3/t14-,17+/m1/s1