methyl 2-(3-butyl-2-pyridin-4-yl-1H-inden-1-yl)ethanoate

Systemtic Name: methyl 2-(3-butyl-2-pyridin-4-yl-1H-inden-1-yl)ethanoate Openeye Name: methyl 2-[3-butyl-2-(4-pyridyl)-1H-inden-1-yl]acetate CAS Name: 2-(3-butyl-2-pyridin-4-yl-1H-inden-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(3-butyl-2-pyridin-4-yl-1H-inden-1-yl)acetate Traditional Name: 2-[3-butyl-2-(4-pyridyl)-1H-inden-1-yl]acetic acid methyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C2=CC=CC=C21)CC(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=C(C(C2=CC=CC=C21)CC(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C21H23NO2/c1-3-4-7-18-16-8-5-6-9-17(16)19(14-20(23)24-2)21(18)15-10-12-22-13-11-15/h5-6,8-13,19H,3-4,7,14H2,1-2H3