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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H30ClN3O5 MolecularWeight: 475.9651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O5/c25-19-5-3-18(4-6-19)22(31)26-7-1-2-21(30)33-14-20(29)27-23(32)28-24-11-15-8-16(12-24)10-17(9-15)13-24/h3-6,15-17H,1-2,7-14H2,(H,26,31)(H2,27,28,29,32)