[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCNC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCNC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O4/c27-21(7-6-17-4-2-1-3-5-17)25-9-8-23(29)30-16-22(28)26-24-13-18-10-19(14-24)12-20(11-18)15-24/h1-7,18-20H,8-16H2,(H,25,27)(H,26,28)/b7-6+