2-diethylaminoethyl 4-[2-(cyclohexylamino)ethanoylamino]-2-oxidanyl-benzoate dihydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[2-(cyclohexylamino)ethanoylamino]-2-oxidanyl-benzoate dihydrochloride Openeye Name: 2-diethylaminoethyl 4-[[2-(cyclohexylamino)acetyl]amino]-2-hydroxy-benzoate dihydrochloride CAS Name: 4-[[2-(cyclohexylamino)-1-oxoethyl]amino]-2-hydroxybenzoic acid 2-diethylaminoethyl ester dihydrochloride IUPAC Name: 2-diethylaminoethyl 4-[[2-(cyclohexylamino)acetyl]amino]-2-hydroxybenzoate dihydrochloride Traditional Name: 4-[[2-(cyclohexylamino)acetyl]amino]-2-hydroxy-benzoic acid 2-diethylaminoethyl ester dihydrochloride Formula: C21H35Cl2N3O4 MolecularWeight: 464.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CNC2CCCCC2)O.Cl.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CNC2CCCCC2)O.Cl.Cl

InChI

InChI=1S/C21H33N3O4.2ClH/c1-3-24(4-2)12-13-28-21(27)18-11-10-17(14-19(18)25)23-20(26)15-22-16-8-6-5-7-9-16;;/h10-11,14,16,22,25H,3-9,12-13,15H2,1-2H3,(H,23,26);2*1H