5-[3-[(phenylmethyl)amino]propyl]benzene-1,2,3,4-tetracarboxylic acid

Systemtic Name: 5-[3-[(phenylmethyl)amino]propyl]benzene-1,2,3,4-tetracarboxylic acid Openeye Name: 5-[3-(benzylamino)propyl]benzene-1,2,3,4-tetracarboxylic acid CAS Name: 5-[3-[(phenylmethyl)amino]propyl]benzene-1,2,3,4-tetracarboxylic acid IUPAC Name: 5-[3-(benzylamino)propyl]benzene-1,2,3,4-tetracarboxylic acid Traditional Name: 5-[3-(benzylamino)propyl]mellophanic acid Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCC2=C(C(=C(C(=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCC2=C(C(=C(C(=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H19NO8/c22-17(23)13-9-12(7-4-8-21-10-11-5-2-1-3-6-11)14(18(24)25)16(20(28)29)15(13)19(26)27/h1-3,5-6,9,21H,4,7-8,10H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)