[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC(=O)NC2CCCCC2C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C

InChI

InChI=1S/C21H28N2O6/c1-3-18(24)15-8-10-16(11-9-15)28-13-20(26)29-12-19(25)23-21(27)22-17-7-5-4-6-14(17)2/h8-11,14,17H,3-7,12-13H2,1-2H3,(H2,22,23,25,27)/t14-,17-/m0/s1