[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-14-4-3-5-19(6-14)25-20(26)13-29-21(27)15(2)24-22(28)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,15-18H,7-13H2,1-2H3,(H,24,28)(H,25,26)/t15-,16?,17?,18?,23?/m0/s1