2-[cyclopropylcarbonyl-[(4-ethyl-2-nitro-phenyl)methylamino]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[cyclopropylcarbonyl-[(4-ethyl-2-nitro-phenyl)methylamino]amino]-3-phenyl-propanoic acid Openeye Name: 2-[cyclopropanecarbonyl-[(4-ethyl-2-nitro-phenyl)methylamino]amino]-3-phenyl-propanoic acid CAS Name: 2-[[cyclopropyl(oxo)methyl]-[(4-ethyl-2-nitrophenyl)methylamino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[cyclopropanecarbonyl-[(4-ethyl-2-nitrophenyl)methylamino]amino]-3-phenylpropanoic acid Traditional Name: 2-[cyclopropanecarbonyl-[(4-ethyl-2-nitro-benzyl)amino]amino]-3-phenyl-propionic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CNN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)CNN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-15-8-9-18(19(12-15)25(29)30)14-23-24(21(26)17-10-11-17)20(22(27)28)13-16-6-4-3-5-7-16/h3-9,12,17,20,23H,2,10-11,13-14H2,1H3,(H,27,28)