(2S,3R)-2-(1-adamantylcarbonyl)-3-(3-bromanyl-4-methoxy-phenyl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2S,3R)-2-(1-adamantylcarbonyl)-3-(3-bromanyl-4-methoxy-phenyl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2S,3R)-2-(adamantane-1-carbonyl)-3-(3-bromo-4-methoxy-phenyl)cyclopropane-1,1-dicarbonitrile CAS Name: (2S,3R)-2-[1-adamantyl(oxo)methyl]-3-(3-bromo-4-methoxyphenyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2S,3R)-2-(adamantane-1-carbonyl)-3-(3-bromo-4-methoxyphenyl)cyclopropane-1,1-dicarbonitrile Traditional Name: (2S,3R)-2-(adamantane-1-carbonyl)-3-(3-bromo-4-methoxy-phenyl)cyclopropane-1,1-dicarbonitrile Formula: C23H23BrN2O2 MolecularWeight: 439.34492

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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)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@H](C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C23H23BrN2O2/c1-28-18-3-2-16(7-17(18)24)19-20(23(19,11-25)12-26)21(27)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15,19-20H,4-6,8-10H2,1H3/t13?,14?,15?,19-,20+,22?/m0/s1