(phenylmethyl) 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21NO5/c24-21(11-9-16-8-10-19-20(13-16)28-15-27-19)23-12-4-7-18(23)22(25)26-14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2/b11-9+