(2S)-2-(1-adamantylcarbonyl)-3-(2-methoxyphenyl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2S)-2-(1-adamantylcarbonyl)-3-(2-methoxyphenyl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2S)-2-(adamantane-1-carbonyl)-3-(2-methoxyphenyl)cyclopropane-1,1-dicarbonitrile CAS Name: (2S)-2-[1-adamantyl(oxo)methyl]-3-(2-methoxyphenyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2S)-2-(adamantane-1-carbonyl)-3-(2-methoxyphenyl)cyclopropane-1,1-dicarbonitrile Traditional Name: (2S)-2-(adamantane-1-carbonyl)-3-(2-methoxyphenyl)cyclopropane-1,1-dicarbonitrile Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1C2[C@@H](C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H24N2O2/c1-27-18-5-3-2-4-17(18)19-20(23(19,12-24)13-25)21(26)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16,19-20H,6-11H2,1H3/t14?,15?,16?,19?,20-,22?/m1/s1