4-[[[6-[(4-carboxyphenyl)methylamino]-6-oxidanylidene-hexanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[6-[(4-carboxyphenyl)methylamino]-6-oxidanylidene-hexanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[6-[(4-carboxyphenyl)methylamino]-6-oxo-hexanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[6-[(4-carboxyphenyl)methylamino]-1,6-dioxohexyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-[(4-carboxyphenyl)methylamino]-6-oxohexanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-[(4-carboxybenzyl)amino]-6-keto-hexanoyl]amino]methyl]benzoic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCCC(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCCC(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O6/c25-19(23-13-15-5-9-17(10-6-15)21(27)28)3-1-2-4-20(26)24-14-16-7-11-18(12-8-16)22(29)30/h5-12H,1-4,13-14H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)