undec-1-en-6-yn-5-yl 2-[1-(phenylmethyl)indol-3-yl]ethanoate

Systemtic Name: undec-1-en-6-yn-5-yl 2-[1-(phenylmethyl)indol-3-yl]ethanoate Openeye Name: 1-but-3-enylhept-2-ynyl 2-(1-benzylindol-3-yl)acetate CAS Name: 2-[1-(phenylmethyl)-3-indolyl]acetic acid undec-1-en-6-yn-5-yl ester IUPAC Name: undec-1-en-6-yn-5-yl 2-(1-benzylindol-3-yl)acetate Traditional Name: 2-(1-benzylindol-3-yl)acetic acid 1-but-3-enylhept-2-ynyl ester Formula: C28H31NO2 MolecularWeight: 413.55124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(CCC=C)OC(=O)CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCC#CC(CCC=C)OC(=O)CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C28H31NO2/c1-3-5-7-11-17-25(16-6-4-2)31-28(30)20-24-22-29(21-23-14-9-8-10-15-23)27-19-13-12-18-26(24)27/h4,8-10,12-15,18-19,22,25H,2-3,5-7,16,20-21H2,1H3