[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33NO5/c1-3-30-21-6-4-20(5-7-21)24(29)16(2)31-23(28)15-26-22(27)14-25-11-17-8-18(12-25)10-19(9-17)13-25/h4-7,16-19H,3,8-15H2,1-2H3,(H,26,27)/t16-,17?,18?,19?,25?/m0/s1