hex-5-enyl 2-butyl-7-hex-1-ynyl-5-[3-oxidanylidene-3-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]-2-phenyl-propyl]-1-benzofuran-3-carboxylate

Systemtic Name: hex-5-enyl 2-butyl-7-hex-1-ynyl-5-[3-oxidanylidene-3-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]-2-phenyl-propyl]-1-benzofuran-3-carboxylate Openeye Name: hex-5-enyl 5-[3-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-3-oxo-2-phenyl-propyl]-2-butyl-7-hex-1-ynyl-benzofuran-3-carboxylate CAS Name: 2-butyl-7-hex-1-ynyl-5-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxo-2-phenylpropyl]-3-benzofurancarboxylic acid hex-5-enyl ester IUPAC Name: hex-5-enyl 2-butyl-7-hex-1-ynyl-5-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxo-2-phenylpropyl]-1-benzofuran-3-carboxylate Traditional Name: 5-[3-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-3-keto-2-phenyl-propyl]-2-butyl-7-hex-1-ynyl-benzofuran-3-carboxylic acid hex-5-enyl ester Formula: C43H51NO5 MolecularWeight: 661.86874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CC2=C1OC(=C2C(=O)OCCCCC=C)CCCC)CC(C3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)CO

Isomeric SMILES

CCCCC#CC1=CC(=CC2=C1OC(=C2C(=O)OCCCCC=C)CCCC)CC(C3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)CO

InChI

InChI=1S/C43H51NO5/c1-4-7-10-16-24-35-27-33(30-38-40(39(25-9-6-3)49-41(35)38)43(47)48-26-19-11-8-5-2)29-37(34-22-17-13-18-23-34)42(46)44-36(31-45)28-32-20-14-12-15-21-32/h5,12-15,17-18,20-23,27,30,36-37,45H,2,4,6-11,19,25-26,28-29,31H2,1,3H3,(H,44,46)/t36-,37?/m0/s1