sodium 2-[(E)-3-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoate

Systemtic Name: sodium 2-[(E)-3-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoate Openeye Name: sodium 2-[(E)-3-[2-(4-methoxybenzoyl)pyrrol-1-yl]prop-1-enyl]benzoate CAS Name: sodium 2-[(E)-3-[2-[(4-methoxyphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]benzoate IUPAC Name: sodium 2-[(E)-3-[2-(4-methoxybenzoyl)pyrrol-1-yl]prop-1-enyl]benzoate Traditional Name: sodium 2-[(E)-3-(2-p-anisoylpyrrol-1-yl)prop-1-enyl]benzoate Formula: C22H18NNaO4 MolecularWeight: 383.37239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC=CN2CC=CC3=CC=CC=C3C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=CN2C/C=C/C3=CC=CC=C3C(=O)[O-].[Na+]

InChI

InChI=1S/C22H19NO4.Na/c1-27-18-12-10-17(11-13-18)21(24)20-9-5-15-23(20)14-4-7-16-6-2-3-8-19(16)22(25)26;/h2-13,15H,14H2,1H3,(H,25,26);/q;+1/p-1/b7-4+;