(E)-3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(1-naphthylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[(1-naphthalenylmethylamino)-oxomethyl]-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(1-naphthylmethylcarbamoyl)-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=C(C=CC(=C3)CN4C=CC=N4)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=C(C=CC(=C3)CN4C=CC=N4)/C=C/C(=O)O

InChI

InChI=1S/C25H21N3O3/c29-24(30)12-11-20-10-9-18(17-28-14-4-13-27-28)15-23(20)25(31)26-16-21-7-3-6-19-5-1-2-8-22(19)21/h1-15H,16-17H2,(H,26,31)(H,29,30)/b12-11+