[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-14-4-5-20(6-15(14)2)26-21(27)13-30-22(28)16(3)25-23(29)24-10-17-7-18(11-24)9-19(8-17)12-24/h4-6,16-19H,7-13H2,1-3H3,(H,25,29)(H,26,27)/t16-,17?,18?,19?,24?/m0/s1