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

Systemtic Name: (E)-3-[2-(2-naphthalen-2-ylethanoylamino)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[[2-(2-naphthyl)acetyl]amino]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[[2-(2-naphthalenyl)-1-oxoethyl]amino]-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[(2-naphthalen-2-ylacetyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[[2-(2-naphthyl)acetyl]amino]-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=C(C=CC2=C1)CC(=O)NC3=C(C=CC(=C3)CN4C=CC=N4)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(=O)NC3=C(C=CC(=C3)CN4C=CC=N4)/C=C/C(=O)O

InChI

InChI=1S/C25H21N3O3/c29-24(16-18-6-8-20-4-1-2-5-22(20)14-18)27-23-15-19(17-28-13-3-12-26-28)7-9-21(23)10-11-25(30)31/h1-15H,16-17H2,(H,27,29)(H,30,31)/b11-10+