[(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [(1S)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-14-4-3-5-19(6-14)22(27)24-13-20(25)28-15(2)21(26)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,15-18H,7-13H2,1-2H3,(H,24,27)/t15-,16?,17?,18?,23?/m0/s1