[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C25H35N3O4/c1-3-20-6-4-5-16(2)23(20)27-21(29)15-32-22(30)7-8-26-24(31)28-25-12-17-9-18(13-25)11-19(10-17)14-25/h4-6,17-19H,3,7-15H2,1-2H3,(H,27,29)(H2,26,28,31)