hept-1-yn-3-yl 2-(3-phenylphenyl)ethanoate

Systemtic Name: hept-1-yn-3-yl 2-(3-phenylphenyl)ethanoate Openeye Name: 1-ethynylpentyl 2-(3-phenylphenyl)acetate CAS Name: 2-(3-phenylphenyl)acetic acid hept-1-yn-3-yl ester IUPAC Name: hept-1-yn-3-yl 2-(3-phenylphenyl)acetate Traditional Name: 2-(3-phenylphenyl)acetic acid 1-butylprop-2-ynyl ester Formula: C21H22O2 MolecularWeight: 306.39818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#C)OC(=O)CC1=CC=CC(=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C#C)OC(=O)CC1=CC=CC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H22O2/c1-3-5-14-20(4-2)23-21(22)16-17-10-9-13-19(15-17)18-11-7-6-8-12-18/h2,6-13,15,20H,3,5,14,16H2,1H3