5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylate Openeye Name: 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[(1-oxo-4-phenylbutyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(4-phenylbutanoylamino)isophthalate Formula: C18H15NO5-2 MolecularWeight: 325.3154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H17NO5/c20-16(8-4-7-12-5-2-1-3-6-12)19-15-10-13(17(21)22)9-14(11-15)18(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)(H,21,22)(H,23,24)/p-2