3-[2-[(naphthalen-2-ylcarbonylamino)methyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(naphthalen-2-ylcarbonylamino)methyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(naphthalene-2-carbonylamino)methyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[2-naphthalenyl(oxo)methyl]amino]methyl]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(naphthalene-2-carbonylamino)methyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(2-naphthoylamino)methyl]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C25H23N3O3/c29-24(30)11-10-20-7-6-18(17-28-13-3-12-27-28)14-23(20)16-26-25(31)22-9-8-19-4-1-2-5-21(19)15-22/h1-9,12-15H,10-11,16-17H2,(H,26,31)(H,29,30)