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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(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:

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-16(25-21(27)8-7-17-5-3-2-4-6-17)23(29)30-15-22(28)26-24-12-18-9-19(13-24)11-20(10-18)14-24/h2-8,16,18-20H,9-15H2,1H3,(H,25,27)(H,26,28)/b8-7+/t16-,18?,19?,20?,24?/m0/s1