2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate; phthalic acid

Systemtic Name: 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate; phthalic acid Openeye Name: 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate; phthalic acid CAS Name: 1-cyclohexyl-1-cyclohexanecarboxylic acid 2-diethylaminoethyl ester; phthalic acid IUPAC Name: 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate; phthalic acid Traditional Name: 1-cyclohexylcyclohexanecarboxylic acid 2-diethylaminoethyl ester; phthalic acid Formula: C27H41NO6 MolecularWeight: 475.61754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C19H35NO2.C8H6O4/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;9-7(10)5-3-1-2-4-6(5)8(11)12/h17H,3-16H2,1-2H3;1-4H,(H,9,10)(H,11,12)