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

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C

InChI

InChI=1S/C20H28N2O5/c1-3-12-26-16-10-8-15(9-11-16)19(24)27-13-18(23)22-20(25)21-17-7-5-4-6-14(17)2/h8-11,14,17H,3-7,12-13H2,1-2H3,(H2,21,22,23,25)/t14-,17-/m0/s1