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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO4/c24-19-5-3-18(4-6-19)22(28)25-7-1-2-21(27)29-14-20(26)23-11-15-8-16(12-23)10-17(9-15)13-23/h3-6,15-17H,1-2,7-14H2,(H,25,28)