[4-[(3S)-3-(1-adamantylcarbonyl)-2,2-dicyano-cyclopropyl]phenyl] ethanoate

Systemtic Name: [4-[(3S)-3-(1-adamantylcarbonyl)-2,2-dicyano-cyclopropyl]phenyl] ethanoate Openeye Name: [4-[(3S)-3-(adamantane-1-carbonyl)-2,2-dicyano-cyclopropyl]phenyl] acetate CAS Name: acetic acid [4-[(3S)-3-[1-adamantyl(oxo)methyl]-2,2-dicyanocyclopropyl]phenyl] ester IUPAC Name: [4-[(3S)-3-(adamantane-1-carbonyl)-2,2-dicyanocyclopropyl]phenyl] acetate Traditional Name: acetic acid [4-[(3S)-3-(adamantane-1-carbonyl)-2,2-dicyano-cyclopropyl]phenyl] ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2[C@@H](C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H24N2O3/c1-14(27)29-19-4-2-18(3-5-19)20-21(24(20,12-25)13-26)22(28)23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,15-17,20-21H,6-11H2,1H3/t15?,16?,17?,20?,21-,23?/m1/s1