2-[4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]-2-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-[2-benzamido-3-keto-3-(4-phenylbutylamino)propyl]-2-nitro-phenoxy]acetic acid Formula: C28H29N3O7 MolecularWeight: 519.54576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H29N3O7/c32-26(33)19-38-25-15-14-21(18-24(25)31(36)37)17-23(30-27(34)22-12-5-2-6-13-22)28(35)29-16-8-7-11-20-9-3-1-4-10-20/h1-6,9-10,12-15,18,23H,7-8,11,16-17,19H2,(H,29,35)(H,30,34)(H,32,33)