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

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-1-propyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 3-amino-2-(2-diethylaminoethyl)-1-propyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 3-amino-2-(2-diethylaminoethyl)-1-propylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-1-propylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 3-amino-2-(2-diethylaminoethyl)-1-propyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O

Isomeric SMILES

CCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O

InChI

InChI=1S/C17H28N2O4/c1-4-9-16(14(20)21)10-7-8-13(18)17(16,15(22)23)11-12-19(5-2)6-3/h7-8,10H,4-6,9,11-12,18H2,1-3H3,(H,20,21)(H,22,23)