4-[3-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[3-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-[2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid CAS Name: 4-[3-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid IUPAC Name: 4-[3-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoic acid Traditional Name: 4-[3-[2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-12(2)23-20(25)18(11-22)10-17-9-14(4)24(15(17)5)19-7-6-16(21(26)27)8-13(19)3/h6-10,12H,1-5H3,(H,23,25)(H,26,27)