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

Systemtic Name: 4-azanyl-2-(2-diethylaminoethyl)-1-ethyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 4-amino-2-(2-diethylaminoethyl)-1-ethyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 4-amino-2-(2-diethylaminoethyl)-1-ethylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 4-amino-2-(2-diethylaminoethyl)-1-ethylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 4-amino-2-(2-diethylaminoethyl)-1-ethyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C16H26N2O4 MolecularWeight: 310.38864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CC(=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

Isomeric SMILES

CCC1(C=CC(=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

InChI

InChI=1S/C16H26N2O4/c1-4-15(13(19)20)8-7-12(17)11-16(15,14(21)22)9-10-18(5-2)6-3/h7-8,11H,4-6,9-10,17H2,1-3H3,(H,19,20)(H,21,22)