[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N(C2CCCCC2)C3CCCCC3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N(C2CCCCC2)C3CCCCC3)Cl)N

InChI

InChI=1S/C22H31ClN2O4/c1-28-20-13-19(24)18(23)12-17(20)22(27)29-14-21(26)25(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h12-13,15-16H,2-11,14,24H2,1H3