5-[3-[2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-[2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-[2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]isophthalic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C(=O)NC3CCCCC3

InChI

InChI=1S/C24H25N3O5/c1-14-8-16(9-19(13-25)22(28)26-20-6-4-3-5-7-20)15(2)27(14)21-11-17(23(29)30)10-18(12-21)24(31)32/h8-12,20H,3-7H2,1-2H3,(H,26,28)(H,29,30)(H,31,32)