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

Systemtic Name: methyl 2-cyclopentyl-2-[2-(2-phenylethynyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cyclopentyl-2-[2-(2-phenylethynyl)-4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-cyclopentyl-2-[2-(2-phenylethynyl)-4-(2-quinolinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cyclopentyl-2-[2-(2-phenylethynyl)-4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cyclopentyl-2-[2-(2-phenylethynyl)-4-(2-quinolylmethoxy)phenyl]acetic acid methyl ester Formula: C32H29NO3 MolecularWeight: 475.57756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCC1)C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C#CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C(C1CCCC1)C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C#CC5=CC=CC=C5

InChI

InChI=1S/C32H29NO3/c1-35-32(34)31(25-12-5-6-13-25)29-20-19-28(21-26(29)16-15-23-9-3-2-4-10-23)36-22-27-18-17-24-11-7-8-14-30(24)33-27/h2-4,7-11,14,17-21,25,31H,5-6,12-13,22H2,1H3