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

Systemtic Name: 3-azanyl-1-(2-diethylaminoethyl)-2-methyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 3-amino-1-(2-diethylaminoethyl)-2-methyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 3-amino-1-(2-diethylaminoethyl)-2-methylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 3-amino-1-(2-diethylaminoethyl)-2-methylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 3-amino-1-(2-diethylaminoethyl)-2-methyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C15H24N2O4 MolecularWeight: 296.36206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C=CC=C(C1(C)C(=O)O)N)C(=O)O

Isomeric SMILES

CCN(CC)CCC1(C=CC=C(C1(C)C(=O)O)N)C(=O)O

InChI

InChI=1S/C15H24N2O4/c1-4-17(5-2)10-9-15(13(20)21)8-6-7-11(16)14(15,3)12(18)19/h6-8H,4-5,9-10,16H2,1-3H3,(H,18,19)(H,20,21)