[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)acrylic acid (2-cumidino-2-keto-ethyl) ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21NO5/c1-14(2)16-5-7-17(8-6-16)22-20(23)12-25-21(24)10-4-15-3-9-18-19(11-15)27-13-26-18/h3-11,14H,12-13H2,1-2H3,(H,22,23)