[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H35NO4/c1-4-17-5-7-21(8-6-17)22(28)15-31-24(29)23(16(2)3)27-25(30)26-12-18-9-19(13-26)11-20(10-18)14-26/h5-8,16,18-20,23H,4,9-15H2,1-3H3,(H,27,30)/t18?,19?,20?,23-,26?/m0/s1