tert-butyl 2-cyclopentyl-2-[3-[(2-oxidanylidenequinolin-1-yl)methyl]phenyl]ethanoate

Systemtic Name: tert-butyl 2-cyclopentyl-2-[3-[(2-oxidanylidenequinolin-1-yl)methyl]phenyl]ethanoate Openeye Name: tert-butyl 2-cyclopentyl-2-[3-[(2-oxo-1-quinolyl)methyl]phenyl]acetate CAS Name: 2-cyclopentyl-2-[3-[(2-oxo-1-quinolinyl)methyl]phenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyclopentyl-2-[3-[(2-oxoquinolin-1-yl)methyl]phenyl]acetate Traditional Name: 2-cyclopentyl-2-[3-[(2-keto-1-quinolyl)methyl]phenyl]acetic acid tert-butyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1CCCC1)C2=CC=CC(=C2)CN3C(=O)C=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)C(C1CCCC1)C2=CC=CC(=C2)CN3C(=O)C=CC4=CC=CC=C43

InChI

InChI=1S/C27H31NO3/c1-27(2,3)31-26(30)25(21-11-4-5-12-21)22-13-8-9-19(17-22)18-28-23-14-7-6-10-20(23)15-16-24(28)29/h6-10,13-17,21,25H,4-5,11-12,18H2,1-3H3