2-(2-methylbenzimidazol-1-yl)ethyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 2-(2-methylbenzimidazol-1-yl)ethyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 2-(2-methylbenzimidazol-1-yl)ethyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid 2-(2-methyl-1-benzimidazolyl)ethyl ester IUPAC Name: 2-(2-methylbenzimidazol-1-yl)ethyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid 2-(2-methylbenzimidazol-1-yl)ethyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCOC(=O)C=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCOC(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H17ClN2O4/c1-13-22-16-4-2-3-5-17(16)23(13)8-9-25-19(24)7-6-14-10-15(21)20-18(11-14)26-12-27-20/h2-7,10-11H,8-9,12H2,1H3/b7-6+