[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c23-18-3-1-17(2-4-18)21(28)24-6-5-20(27)29-13-19(26)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-16H,5-13H2,(H,24,28)(H,25,26)