[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27N3O4/c1-15(31-21(28)7-6-16-2-4-17(14-25)5-3-16)22(29)26-23(30)27-24-11-18-8-19(12-24)10-20(9-18)13-24/h2-7,15,18-20H,8-13H2,1H3,(H2,26,27,29,30)/b7-6+/t15-,18?,19?,20?,24?/m1/s1