[2-(pyrrolidin-1-ylmethyl)phenyl]methyl (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [2-(1-pyrrolidinylmethyl)phenyl]methyl ester IUPAC Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-(pyrrolidinomethyl)benzyl] ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OCC2=CC=CC=C2CN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OCC2=CC=CC=C2CN3CCCC3

InChI

InChI=1S/C22H25NO2/c1-18-8-10-19(11-9-18)12-13-22(24)25-17-21-7-3-2-6-20(21)16-23-14-4-5-15-23/h2-3,6-13H,4-5,14-17H2,1H3/b13-12+