[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClNO4/c1-13(24-20(26)17-2-4-18(23)5-3-17)21(27)28-12-19(25)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H,24,26)/t13-,14?,15?,16?,22?/m0/s1