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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O4/c1-17(27-22(28)8-7-18-5-3-2-4-6-18)24(30)31-15-23(29)26-16-25-12-19-9-20(13-25)11-21(10-19)14-25/h2-8,17,19-21H,9-16H2,1H3,(H,26,29)(H,27,28)/b8-7+/t17-,19?,20?,21?,25?/m0/s1