O4-tert-butyl O1-ethyl (2E)-2-(phenylmethylidene)butanedioate

Systemtic Name: O4-tert-butyl O1-ethyl (2E)-2-(phenylmethylidene)butanedioate Openeye Name: O4-tert-butyl O1-ethyl (2E)-2-benzylidenebutanedioate CAS Name: (2E)-2-(phenylmethylene)butanedioic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl (2E)-2-benzylidenebutanedioate Traditional Name: (2E)-2-benzalsuccinic acid O4-tert-butyl ester O1-ethyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC=C1)CC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=CC=C1)/CC(=O)OC(C)(C)C

InChI

InChI=1S/C17H22O4/c1-5-20-16(19)14(11-13-9-7-6-8-10-13)12-15(18)21-17(2,3)4/h6-11H,5,12H2,1-4H3/b14-11+