[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c23-13-18(11-17-8-9-19-20(12-17)29-15-28-19)22(26)27-14-21(25)24-10-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12H,4,7,10,14-15H2,(H,24,25)