[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H29N3O4/c1-15(22(29)27-20-4-2-16(14-25)3-5-20)31-21(28)6-7-26-23(30)24-11-17-8-18(12-24)10-19(9-17)13-24/h2-5,15,17-19H,6-13H2,1H3,(H,26,30)(H,27,29)