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

Systemtic Name: 3-azanyl-1-(2-diethylaminoethyl)-2-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 3-amino-1-(2-diethylaminoethyl)-2-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 3-amino-1-(2-diethylaminoethyl)-2-hexylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 3-amino-1-(2-diethylaminoethyl)-2-hexylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 3-amino-1-(2-diethylaminoethyl)-2-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C20H34N2O4 MolecularWeight: 366.49496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

InChI

InChI=1S/C20H34N2O4/c1-4-7-8-9-13-20(18(25)26)16(21)11-10-12-19(20,17(23)24)14-15-22(5-2)6-3/h10-12H,4-9,13-15,21H2,1-3H3,(H,23,24)(H,25,26)