[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2CCCCC2C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)OC

InChI

InChI=1S/C20H28ClNO5/c1-4-9-26-19-15(21)10-14(11-17(19)25-3)20(24)27-12-18(23)22-16-8-6-5-7-13(16)2/h10-11,13,16H,4-9,12H2,1-3H3,(H,22,23)/t13-,16-/m0/s1