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

Systemtic Name: 4-azanyl-2-(2-diethylaminoethyl)-1-propan-2-yl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 4-amino-2-(2-diethylaminoethyl)-1-isopropyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 4-amino-2-(2-diethylaminoethyl)-1-propan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 4-amino-2-(2-diethylaminoethyl)-1-propan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 4-amino-2-(2-diethylaminoethyl)-1-isopropyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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