sodium (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoate

Systemtic Name: sodium (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoate Openeye Name: sodium (E)-3-[2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoate CAS Name: sodium (E)-3-[2-[2-(2-naphthalenyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]-2-propenoate IUPAC Name: sodium (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoate Traditional Name: sodium (E)-3-[2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]acrylate Formula: C25H21N2NaO3 MolecularWeight: 420.43561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)C=CC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)/C=C/C(=O)[O-].[Na+]

InChI

InChI=1S/C25H22N2O3.Na/c28-25(29)11-10-22-9-7-20(18-27-14-3-13-26-27)17-24(22)30-15-12-19-6-8-21-4-1-2-5-23(21)16-19;/h1-11,13-14,16-17H,12,15,18H2,(H,28,29);/q;+1/p-1/b11-10+;