4-[[[1-[(4-carboxyphenyl)amino]-1-oxidanylidene-pentan-3-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[1-[(4-carboxyphenyl)amino]-1-oxidanylidene-pentan-3-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[3-(4-carboxyanilino)-1-ethyl-3-oxo-propyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-(4-carboxyanilino)-1-oxopentan-3-yl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-(4-carboxyanilino)-1-oxopentan-3-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(4-carboxyanilino)-1-ethyl-3-keto-propyl]amino]methyl]benzoic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)NC1=CC=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(CC(=O)NC1=CC=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-2-16(21-12-13-3-5-14(6-4-13)19(24)25)11-18(23)22-17-9-7-15(8-10-17)20(26)27/h3-10,16,21H,2,11-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)