[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C(=CC4=CC=C(C=C4)N(C)C)C#N

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)/C(=C/C4=CC=C(C=C4)N(C)C)/C#N

InChI

InChI=1S/C25H30N2O3/c1-16(23(28)25-12-18-8-19(13-25)10-20(9-18)14-25)30-24(29)21(15-26)11-17-4-6-22(7-5-17)27(2)3/h4-7,11,16,18-20H,8-10,12-14H2,1-3H3/b21-11+/t16-,18?,19?,20?,25?/m1/s1