(2S)-2-(1-adamantylcarbonyl)-3-(2,3,4-trimethoxyphenyl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2S)-2-(1-adamantylcarbonyl)-3-(2,3,4-trimethoxyphenyl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2S)-2-(adamantane-1-carbonyl)-3-(2,3,4-trimethoxyphenyl)cyclopropane-1,1-dicarbonitrile CAS Name: (2S)-2-[1-adamantyl(oxo)methyl]-3-(2,3,4-trimethoxyphenyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2S)-2-(adamantane-1-carbonyl)-3-(2,3,4-trimethoxyphenyl)cyclopropane-1,1-dicarbonitrile Traditional Name: (2S)-2-(adamantane-1-carbonyl)-3-(2,3,4-trimethoxyphenyl)cyclopropane-1,1-dicarbonitrile Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2[C@@H](C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4)OC)OC

InChI

InChI=1S/C25H28N2O4/c1-29-18-5-4-17(21(30-2)22(18)31-3)19-20(25(19,12-26)13-27)23(28)24-9-14-6-15(10-24)8-16(7-14)11-24/h4-5,14-16,19-20H,6-11H2,1-3H3/t14?,15?,16?,19?,20-,24?/m1/s1