1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-4-(4-fluorophenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-4-(4-fluorophenoxy)proline Formula: C26H31FN2O6 MolecularWeight: 486.532543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)OC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)OC3=CC=C(C=C3)F

InChI

InChI=1S/C26H31FN2O6/c1-3-34-26(33)22(14-9-18-7-5-4-6-8-18)28-17(2)24(30)29-16-21(15-23(29)25(31)32)35-20-12-10-19(27)11-13-20/h4-8,10-13,17,21-23,28H,3,9,14-16H2,1-2H3,(H,31,32)