3-[carboxymethyl-[4-(carboxymethyl)phenyl]amino]-3-phenylazanyl-pentanedioic acid

Systemtic Name: 3-[carboxymethyl-[4-(carboxymethyl)phenyl]amino]-3-phenylazanyl-pentanedioic acid Openeye Name: 3-anilino-3-[N,4-bis(carboxymethyl)anilino]pentanedioic acid CAS Name: 3-anilino-3-[N,4-bis(carboxymethyl)anilino]pentanedioic acid IUPAC Name: 3-anilino-3-[N,4-bis(carboxymethyl)anilino]pentanedioic acid Traditional Name: 3-anilino-3-[N,4-bis(carboxymethyl)anilino]glutaric acid Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CC(=O)O)(CC(=O)O)N(CC(=O)O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(CC(=O)O)(CC(=O)O)N(CC(=O)O)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C21H22N2O8/c24-17(25)10-14-6-8-16(9-7-14)23(13-20(30)31)21(11-18(26)27,12-19(28)29)22-15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)