(4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO5/c24-21(10-6-16-5-9-19-20(13-16)28-15-27-19)26-14-17-3-7-18(8-4-17)22(25)23-11-1-2-12-23/h3-10,13H,1-2,11-12,14-15H2/b10-6+