3-(4-cyclopentyloxyphenyl)-3-[(3-methyl-2-nitro-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-cyclopentyloxyphenyl)-3-[(3-methyl-2-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[4-(cyclopentoxy)phenyl]-3-[(3-methyl-2-nitro-benzoyl)amino]propanoic acid CAS Name: 3-(4-cyclopentyloxyphenyl)-3-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-cyclopentyloxyphenyl)-3-[(3-methyl-2-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-[4-(cyclopentoxy)phenyl]-3-[(3-methyl-2-nitro-benzoyl)amino]propionic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC3CCCC3

InChI

InChI=1S/C22H24N2O6/c1-14-5-4-8-18(21(14)24(28)29)22(27)23-19(13-20(25)26)15-9-11-17(12-10-15)30-16-6-2-3-7-16/h4-5,8-12,16,19H,2-3,6-7,13H2,1H3,(H,23,27)(H,25,26)