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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4/c1-5-20(6-2)11-10-18(16(23)24)14(19)8-7-9-17(18,15(21)22)12-13(3)4/h7-9,13H,5-6,10-12,19H2,1-4H3,(H,21,22)(H,23,24)