butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-3-phenyl-propanoate

Systemtic Name: butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-3-phenyl-propanoate Openeye Name: butyl (2S)-2-[[(E)-5-(2-furyl)-3-oxo-pent-4-enyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-5-(2-furanyl)-3-oxopent-4-enyl]amino]-3-phenylpropanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-5-(2-furyl)-3-keto-pent-4-enyl]amino]-3-phenyl-propionic acid butyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC=CC=C1)NCCC(=O)C=CC2=CC=CO2

Isomeric SMILES

CCCCOC(=O)[C@H](CC1=CC=CC=C1)NCCC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C22H27NO4/c1-2-3-15-27-22(25)21(17-18-8-5-4-6-9-18)23-14-13-19(24)11-12-20-10-7-16-26-20/h4-12,16,21,23H,2-3,13-15,17H2,1H3/b12-11+/t21-/m0/s1