3-[[4-[[3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propyl]amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propyl]amino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(4-isopropoxyphenyl)-3-oxo-propyl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[3-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-(4-isopropoxyphenyl)-3-keto-propyl]amino]benzoyl]amino]propionic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H26N2O5/c1-15(2)29-19-9-5-16(6-10-19)20(25)11-13-23-18-7-3-17(4-8-18)22(28)24-14-12-21(26)27/h3-10,15,23H,11-14H2,1-2H3,(H,24,28)(H,26,27)