(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)C

InChI

InChI=1S/C22H20ClNO4/c1-14-3-4-15(2)24(14)20-7-5-16(6-8-20)22(25)27-12-18-10-19(23)9-17-11-26-13-28-21(17)18/h3-10H,11-13H2,1-2H3