ethyl 4-[[(2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzoic acid ethyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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