[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H30BrN3O4 MolecularWeight: 492.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C23H30BrN3O4/c1-14-2-3-19(18(24)6-14)26-20(28)13-31-21(29)4-5-25-22(30)27-23-10-15-7-16(11-23)9-17(8-15)12-23/h2-3,6,15-17H,4-5,7-13H2,1H3,(H,26,28)(H2,25,27,30)