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

Systemtic Name: 4-azanyl-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 4-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 4-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 4-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 4-amino-1-butyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C18H30N2O4 MolecularWeight: 338.4418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCC1(C=CC(=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

InChI

InChI=1S/C18H30N2O4/c1-4-7-9-17(15(21)22)10-8-14(19)13-18(17,16(23)24)11-12-20(5-2)6-3/h8,10,13H,4-7,9,11-12,19H2,1-3H3,(H,21,22)(H,23,24)