methyl 3-[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]-2-(pentanoylamino)benzoate

Systemtic Name: methyl 3-[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]-2-(pentanoylamino)benzoate Openeye Name: methyl 3-[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]-2-(pentanoylamino)benzoate CAS Name: 3-[4-(2-cyano-5-methyl-1-pyrrolyl)phenyl]-2-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-cyano-5-methylpyrrol-1-yl)phenyl]-2-(pentanoylamino)benzoate Traditional Name: 3-[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]-2-(valerylamino)benzoic acid methyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC=C1C(=O)OC)C2=CC=C(C=C2)N3C(=CC=C3C#N)C

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC=C1C(=O)OC)C2=CC=C(C=C2)N3C(=CC=C3C#N)C

InChI

InChI=1S/C25H25N3O3/c1-4-5-9-23(29)27-24-21(7-6-8-22(24)25(30)31-3)18-11-14-19(15-12-18)28-17(2)10-13-20(28)16-26/h6-8,10-15H,4-5,9H2,1-3H3,(H,27,29)