[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-2-propenoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)acrylic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4/c1-19-8-7-9-20(2)26(19)28-27(30)21(3)32-25(29)17-14-22-12-15-24(16-13-22)31-18-23-10-5-4-6-11-23/h4-17,21H,18H2,1-3H3,(H,28,30)/b17-14+