methyl (2S)-2-[3-[5-(6-oxidanylhexyl)furan-2-yl]prop-2-enoxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[5-(6-oxidanylhexyl)furan-2-yl]prop-2-enoxycarbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-[5-(6-hydroxyhexyl)-2-furyl]allyloxycarbonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[5-(6-hydroxyhexyl)-2-furanyl]prop-2-enoxy-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[5-(6-hydroxyhexyl)furan-2-yl]prop-2-enoxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[5-(6-hydroxyhexyl)-2-furyl]allyloxycarbonylamino]-3-phenyl-propionic acid methyl ester Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)OCC=CC2=CC=C(O2)CCCCCCO

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC=CC2=CC=C(O2)CCCCCCO

InChI

InChI=1S/C24H31NO6/c1-29-23(27)22(18-19-10-5-4-6-11-19)25-24(28)30-17-9-13-21-15-14-20(31-21)12-7-2-3-8-16-26/h4-6,9-11,13-15,22,26H,2-3,7-8,12,16-18H2,1H3,(H,25,28)/t22-/m0/s1