[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-2-cyano-3-(2-furyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-furyl)acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C(=CC4=CC=CO4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)/C(=C/C4=CC=CO4)/C#N

InChI

InChI=1S/C21H24N2O4/c22-11-17(7-18-2-1-3-26-18)20(25)27-12-19(24)23-13-21-8-14-4-15(9-21)6-16(5-14)10-21/h1-3,7,14-16H,4-6,8-10,12-13H2,(H,23,24)/b17-7+