4-[[[6-[(4-carboxylatophenyl)methylamino]-6-oxidanylidene-hexanoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[6-[(4-carboxylatophenyl)methylamino]-6-oxidanylidene-hexanoyl]amino]methyl]benzoate Openeye Name: 4-[[[6-[(4-carboxylatophenyl)methylamino]-6-oxo-hexanoyl]amino]methyl]benzoate CAS Name: 4-[[[6-[(4-carboxylatophenyl)methylamino]-1,6-dioxohexyl]amino]methyl]benzoate IUPAC Name: 4-[[[6-[(4-carboxylatophenyl)methylamino]-6-oxohexanoyl]amino]methyl]benzoate Traditional Name: 4-[[[6-[(4-carboxylatobenzyl)amino]-6-keto-hexanoyl]amino]methyl]benzoate Formula: C22H22N2O6-2 MolecularWeight: 410.41988

Click to see the large picture

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)/p-2