3-[[3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acryloyl]amino]benzoic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C27H27N3O3/c1-17-13-20(18(2)30(17)24-11-9-22(10-12-24)27(3,4)5)14-21(16-28)25(31)29-23-8-6-7-19(15-23)26(32)33/h6-15H,1-5H3,(H,29,31)(H,32,33)