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

Systemtic Name: 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[2-cyano-3-[2,5-dimethyl-1-(1-naphthalenyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[2-cyano-3-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]acryloyl]amino]benzoic acid Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H21N3O3/c1-17-14-21(18(2)30(17)25-9-5-7-19-6-3-4-8-24(19)25)15-22(16-28)26(31)29-23-12-10-20(11-13-23)27(32)33/h3-15H,1-2H3,(H,29,31)(H,32,33)