3-[4-(phenoxymethyl)-2-(quinolin-4-ylmethylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(phenoxymethyl)-2-(quinolin-4-ylmethylcarbamoyl)phenyl]propanoic acid Openeye Name: 3-[4-(phenoxymethyl)-2-(4-quinolylmethylcarbamoyl)phenyl]propanoic acid CAS Name: 3-[2-[oxo-(4-quinolinylmethylamino)methyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(phenoxymethyl)-2-(quinolin-4-ylmethylcarbamoyl)phenyl]propanoic acid Traditional Name: 3-[4-(phenoxymethyl)-2-(4-quinolylmethylcarbamoyl)phenyl]propionic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NCC3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NCC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C27H24N2O4/c30-26(31)13-12-20-11-10-19(18-33-22-6-2-1-3-7-22)16-24(20)27(32)29-17-21-14-15-28-25-9-5-4-8-23(21)25/h1-11,14-16H,12-13,17-18H2,(H,29,32)(H,30,31)