methyl 2-(3-butyl-2-pyrimidin-5-yl-1H-inden-1-yl)ethanoate

Systemtic Name: methyl 2-(3-butyl-2-pyrimidin-5-yl-1H-inden-1-yl)ethanoate Openeye Name: methyl 2-(3-butyl-2-pyrimidin-5-yl-1H-inden-1-yl)acetate CAS Name: 2-[3-butyl-2-(5-pyrimidinyl)-1H-inden-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3-butyl-2-pyrimidin-5-yl-1H-inden-1-yl)acetate Traditional Name: 2-[3-butyl-2-(5-pyrimidyl)-1H-inden-1-yl]acetic acid methyl ester Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2/c1-3-4-7-17-15-8-5-6-9-16(15)18(10-19(23)24-2)20(17)14-11-21-13-22-12-14/h5-6,8-9,11-13,18H,3-4,7,10H2,1-2H3