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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

InChI

InChI=1S/C18H30N2O4/c1-4-7-11-18(16(23)24)14(19)9-8-10-17(18,15(21)22)12-13-20(5-2)6-3/h8-10H,4-7,11-13,19H2,1-3H3,(H,21,22)(H,23,24)