4-[[2-[2-[(4-carboxyphenyl)methyl-methyl-amino]ethyl-methyl-amino]ethyl-methyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[2-[2-[(4-carboxyphenyl)methyl-methyl-amino]ethyl-methyl-amino]ethyl-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[2-[2-[(4-carboxyphenyl)methyl-methyl-amino]ethyl-methyl-amino]ethyl-methyl-amino]methyl]benzoic acid CAS Name: 4-[[2-[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-methylamino]ethyl-methylamino]methyl]benzoic acid IUPAC Name: 4-[[2-[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-methylamino]ethyl-methylamino]methyl]benzoic acid Traditional Name: 4-[[2-[2-[(4-carboxybenzyl)-methyl-amino]ethyl-methyl-amino]ethyl-methyl-amino]methyl]benzoic acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)CC1=CC=C(C=C1)C(=O)O)CCN(C)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(CCN(C)CC1=CC=C(C=C1)C(=O)O)CCN(C)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C23H31N3O4/c1-24(12-14-25(2)16-18-4-8-20(9-5-18)22(27)28)13-15-26(3)17-19-6-10-21(11-7-19)23(29)30/h4-11H,12-17H2,1-3H3,(H,27,28)(H,29,30)