methyl 2-cyclopentyl-2-[2-propyl-4-(quinolin-2-ylmethoxy)phenyl]ethanoate

Systemtic Name: methyl 2-cyclopentyl-2-[2-propyl-4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cyclopentyl-2-[2-propyl-4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-cyclopentyl-2-[2-propyl-4-(2-quinolinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cyclopentyl-2-[2-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cyclopentyl-2-[2-propyl-4-(2-quinolylmethoxy)phenyl]acetic acid methyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)C(C4CCCC4)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)C(C4CCCC4)C(=O)OC

InChI

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