2-azanyl-5-[3-(4-azanyl-3-carboxy-phenyl)-1,5-bis(dimethylamino)pentan-3-yl]benzoic acid

Systemtic Name: 2-azanyl-5-[3-(4-azanyl-3-carboxy-phenyl)-1,5-bis(dimethylamino)pentan-3-yl]benzoic acid Openeye Name: 2-amino-5-[1-(4-amino-3-carboxy-phenyl)-3-(dimethylamino)-1-(2-dimethylaminoethyl)propyl]benzoic acid CAS Name: 2-amino-5-[3-(4-amino-3-carboxyphenyl)-1,5-bis(dimethylamino)pentan-3-yl]benzoic acid IUPAC Name: 2-amino-5-[3-(4-amino-3-carboxyphenyl)-1,5-bis(dimethylamino)pentan-3-yl]benzoic acid Traditional Name: 2-amino-5-[1-(4-amino-3-carboxy-phenyl)-3-(dimethylamino)-1-(2-dimethylaminoethyl)propyl]benzoic acid Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CCN(C)C)(C1=CC(=C(C=C1)N)C(=O)O)C2=CC(=C(C=C2)N)C(=O)O

Isomeric SMILES

CN(C)CCC(CCN(C)C)(C1=CC(=C(C=C1)N)C(=O)O)C2=CC(=C(C=C2)N)C(=O)O

InChI

InChI=1S/C23H32N4O4/c1-26(2)11-9-23(10-12-27(3)4,15-5-7-19(24)17(13-15)21(28)29)16-6-8-20(25)18(14-16)22(30)31/h5-8,13-14H,9-12,24-25H2,1-4H3,(H,28,29)(H,30,31)