2-diethylaminoethyl 4-[2-(cyclohexylcarbonylamino)ethanoylamino]benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[2-(cyclohexylcarbonylamino)ethanoylamino]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate hydrochloride CAS Name: 4-[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate hydrochloride Traditional Name: 4-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C22H34ClN3O4 MolecularWeight: 439.97606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CCCCC2.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CCCCC2.Cl

InChI

InChI=1S/C22H33N3O4.ClH/c1-3-25(4-2)14-15-29-22(28)18-10-12-19(13-11-18)24-20(26)16-23-21(27)17-8-6-5-7-9-17;/h10-13,17H,3-9,14-16H2,1-2H3,(H,23,27)(H,24,26);1H