2,2-bis(2-diethylaminoethyl)hexanedioic acid; N-ethyl-N-(phenylmethyl)ethanamine

Systemtic Name: 2,2-bis(2-diethylaminoethyl)hexanedioic acid; N-ethyl-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-N-ethyl-ethanamine; 2,2-bis(2-diethylaminoethyl)hexanedioic acid CAS Name: 2,2-bis(2-diethylaminoethyl)hexanedioic acid; N-ethyl-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-N-ethylethanamine; 2,2-bis(2-diethylaminoethyl)hexanedioic acid Traditional Name: benzyl(diethyl)amine; 2,2-bis(2-diethylaminoethyl)adipic acid Formula: C29H53N3O4 MolecularWeight: 507.74882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(CCCC(=O)O)(CCN(CC)CC)C(=O)O.CCN(CC)CC1=CC=CC=C1

Isomeric SMILES

CCN(CC)CCC(CCCC(=O)O)(CCN(CC)CC)C(=O)O.CCN(CC)CC1=CC=CC=C1

InChI

InChI=1S/C18H36N2O4.C11H17N/c1-5-19(6-2)14-12-18(17(23)24,11-9-10-16(21)22)13-15-20(7-3)8-4;1-3-12(4-2)10-11-8-6-5-7-9-11/h5-15H2,1-4H3,(H,21,22)(H,23,24);5-9H,3-4,10H2,1-2H3