[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H23NO5/c1-22(2,3)16-6-4-5-7-17(16)23-20(24)13-26-21(25)11-9-15-8-10-18-19(12-15)28-14-27-18/h4-12H,13-14H2,1-3H3,(H,23,24)/b11-9+