[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c1-15(22(30)27-20-4-2-3-16(10-20)14-25)32-21(29)5-6-26-23(31)28-24-11-17-7-18(12-24)9-19(8-17)13-24/h2-4,10,15,17-19H,5-9,11-13H2,1H3,(H,27,30)(H2,26,28,31)