[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C25H34N2O4/c1-4-20-7-5-6-15(2)22(20)27-21(28)14-31-23(29)16(3)26-24(30)25-11-17-8-18(12-25)10-19(9-17)13-25/h5-7,16-19H,4,8-14H2,1-3H3,(H,26,30)(H,27,28)/t16-,17?,18?,19?,25?/m0/s1