[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C23H27ClN4O4 MolecularWeight: 458.93788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H27ClN4O4/c24-19-8-18(2-1-17(19)12-25)27-20(29)13-32-21(30)3-4-26-22(31)28-23-9-14-5-15(10-23)7-16(6-14)11-23/h1-2,8,14-16H,3-7,9-11,13H2,(H,27,29)(H2,26,28,31)