5-methylheptyl 4-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]benzoate

Systemtic Name: 5-methylheptyl 4-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]benzoate Openeye Name: 5-methylheptyl 4-[(E)-2-(1-methylpyrrol-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(1-methyl-2-pyrrolyl)ethenyl]benzoic acid 5-methylheptyl ester IUPAC Name: 5-methylheptyl 4-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(1-methylpyrrol-2-yl)vinyl]benzoic acid 5-methylheptyl ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCOC(=O)C1=CC=C(C=C1)C=CC2=CC=CN2C

Isomeric SMILES

CCC(C)CCCCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC=CN2C

InChI

InChI=1S/C22H29NO2/c1-4-18(2)8-5-6-17-25-22(24)20-13-10-19(11-14-20)12-15-21-9-7-16-23(21)3/h7,9-16,18H,4-6,8,17H2,1-3H3/b15-12+