3-azanyl-2-(2-diethylaminoethyl)-1-pentyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-1-pentyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 3-amino-2-(2-diethylaminoethyl)-1-pentyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 3-amino-2-(2-diethylaminoethyl)-1-pentylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-1-pentylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 3-amino-1-amyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C19H32N2O4 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O

InChI

InChI=1S/C19H32N2O4/c1-4-7-8-11-18(16(22)23)12-9-10-15(20)19(18,17(24)25)13-14-21(5-2)6-3/h9-10,12H,4-8,11,13-14,20H2,1-3H3,(H,22,23)(H,24,25)