methyl 2-(3-butyl-2-isoquinolin-3-yl-1H-inden-1-yl)ethanoate

Systemtic Name: methyl 2-(3-butyl-2-isoquinolin-3-yl-1H-inden-1-yl)ethanoate Openeye Name: methyl 2-[3-butyl-2-(3-isoquinolyl)-1H-inden-1-yl]acetate CAS Name: 2-[3-butyl-2-(3-isoquinolinyl)-1H-inden-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3-butyl-2-isoquinolin-3-yl-1H-inden-1-yl)acetate Traditional Name: 2-[3-butyl-2-(3-isoquinolyl)-1H-inden-1-yl]acetic acid methyl ester Formula: C25H25NO2 MolecularWeight: 371.4715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C2=CC=CC=C21)CC(=O)OC)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CCCCC1=C(C(C2=CC=CC=C21)CC(=O)OC)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H25NO2/c1-3-4-11-21-19-12-7-8-13-20(19)22(15-24(27)28-2)25(21)23-14-17-9-5-6-10-18(17)16-26-23/h5-10,12-14,16,22H,3-4,11,15H2,1-2H3