methyl 4-[[3-[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[3-[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[3-[1-[(E)-cinnamyl]pyrrolidin-3-yl]phenoxy]methyl]benzoate CAS Name: 4-[[3-[1-[(E)-3-phenylprop-2-enyl]-3-pyrrolidinyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]phenoxy]methyl]benzoate Traditional Name: 4-[[3-[1-[(E)-cinnamyl]pyrrolidin-3-yl]phenoxy]methyl]benzoic acid methyl ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC(=C2)C3CCN(C3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC(=C2)C3CCN(C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H29NO3/c1-31-28(30)24-14-12-23(13-15-24)21-32-27-11-5-10-25(19-27)26-16-18-29(20-26)17-6-9-22-7-3-2-4-8-22/h2-15,19,26H,16-18,20-21H2,1H3/b9-6+