6-azanyl-3-[4-azanyl-3-(2-diethylaminoethyl)phenyl]-6-(2-diethylaminoethyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-azanyl-3-[4-azanyl-3-(2-diethylaminoethyl)phenyl]-6-(2-diethylaminoethyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-amino-3-[4-amino-3-(2-diethylaminoethyl)phenyl]-6-(2-diethylaminoethyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-amino-3-[4-amino-3-(2-diethylaminoethyl)phenyl]-6-(2-diethylaminoethyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-amino-3-[4-amino-3-(2-diethylaminoethyl)phenyl]-6-(2-diethylaminoethyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-amino-3-[4-amino-3-(2-diethylaminoethyl)phenyl]-6-(2-diethylaminoethyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C25H40N4O2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C=CC(=C1)C2=CC(C(C=C2)(CCN(CC)CC)N)C(=O)O)N

Isomeric SMILES

CCN(CC)CCC1=C(C=CC(=C1)C2=CC(C(C=C2)(CCN(CC)CC)N)C(=O)O)N

InChI

InChI=1S/C25H40N4O2/c1-5-28(6-2)15-12-21-17-19(9-10-23(21)26)20-11-13-25(27,22(18-20)24(30)31)14-16-29(7-3)8-4/h9-11,13,17-18,22H,5-8,12,14-16,26-27H2,1-4H3,(H,30,31)