2-[3-[diethylcarbamoyl(2-methylpropyl)amino]-4-ethoxy-phenyl]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[3-[diethylcarbamoyl(2-methylpropyl)amino]-4-ethoxy-phenyl]-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-[3-[diethylcarbamoyl(isobutyl)amino]-4-ethoxy-phenyl]-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[3-[[diethylamino(oxo)methyl]-(2-methylpropyl)amino]-4-ethoxyphenyl]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[3-[diethylcarbamoyl(2-methylpropyl)amino]-4-ethoxyphenyl]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[3-[diethylcarbamoyl(isobutyl)amino]-4-ethoxy-phenyl]-3-(4-nitrophenyl)propionic acid Formula: C26H35N3O6 MolecularWeight: 485.5726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N(CC(C)C)C1=C(C=CC(=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)OCC

Isomeric SMILES

CCN(CC)C(=O)N(CC(C)C)C1=C(C=CC(=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)OCC

InChI

InChI=1S/C26H35N3O6/c1-6-27(7-2)26(32)28(17-18(4)5)23-16-20(11-14-24(23)35-8-3)22(25(30)31)15-19-9-12-21(13-10-19)29(33)34/h9-14,16,18,22H,6-8,15,17H2,1-5H3,(H,30,31)