[1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C24H32ClN3O5 MolecularWeight: 477.98098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32ClN3O5/c1-14(22(30)27-19-10-18(25)3-4-20(19)32-2)33-21(29)5-6-26-23(31)28-24-11-15-7-16(12-24)9-17(8-15)13-24/h3-4,10,14-17H,5-9,11-13H2,1-2H3,(H,27,30)(H2,26,28,31)