[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-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-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-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-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H23NO5/c1-14(2)17-6-4-5-15(3)22(17)23-20(24)12-26-21(25)10-8-16-7-9-18-19(11-16)28-13-27-18/h4-11,14H,12-13H2,1-3H3,(H,23,24)/b10-8+