[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C21H31NO4/c1-7-25-17-11-8-16(9-12-17)10-13-19(24)26-14-18(23)22-21(5,6)15-20(2,3)4/h8-13H,7,14-15H2,1-6H3,(H,22,23)/b13-10+