1,1-bis[(phenylmethyl)amino]pentane-1,2,5-tricarboxylic acid

Systemtic Name: 1,1-bis[(phenylmethyl)amino]pentane-1,2,5-tricarboxylic acid Openeye Name: 1,1-bis(benzylamino)pentane-1,2,5-tricarboxylic acid CAS Name: 1,1-bis[(phenylmethyl)amino]pentane-1,2,5-tricarboxylic acid IUPAC Name: 1,1-bis(benzylamino)pentane-1,2,5-tricarboxylic acid Traditional Name: 1,1-bis(benzylamino)pentane-1,2,5-tricarboxylic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C(CCCC(=O)O)C(=O)O)(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(C(CCCC(=O)O)C(=O)O)(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c25-19(26)13-7-12-18(20(27)28)22(21(29)30,23-14-16-8-3-1-4-9-16)24-15-17-10-5-2-6-11-17/h1-6,8-11,18,23-24H,7,12-15H2,(H,25,26)(H,27,28)(H,29,30)