O1-tert-butyl O4-ethyl 2-isoquinolin-5-ylbutanedioate

Systemtic Name: O1-tert-butyl O4-ethyl 2-isoquinolin-5-ylbutanedioate Openeye Name: O1-tert-butyl O4-ethyl 2-(5-isoquinolyl)butanedioate CAS Name: 2-(5-isoquinolinyl)butanedioic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 2-isoquinolin-5-ylbutanedioate Traditional Name: 2-(5-isoquinolyl)succinic acid O1-tert-butyl ester O4-ethyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC2=C1C=CN=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC2=C1C=CN=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H23NO4/c1-5-23-17(21)11-16(18(22)24-19(2,3)4)15-8-6-7-13-12-20-10-9-14(13)15/h6-10,12,16H,5,11H2,1-4H3