(E)-3-[3,5-bis[[4-(3,7-dimethyloct-6-enoxy)-4-oxidanylidene-butanoyl]amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,5-bis[[4-(3,7-dimethyloct-6-enoxy)-4-oxidanylidene-butanoyl]amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,5-bis[[4-(3,7-dimethyloct-6-enoxy)-4-oxo-butanoyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,5-bis[[4-(3,7-dimethyloct-6-enoxy)-1,4-dioxobutyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,5-bis[[4-(3,7-dimethyloct-6-enoxy)-4-oxobutanoyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,5-bis[[4-(3,7-dimethyloct-6-enoxy)-4-keto-butanoyl]amino]phenyl]acrylic acid Formula: C37H54N2O8 MolecularWeight: 654.83326

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CCOC(=O)CCC(=O)NC1=CC(=CC(=C1)C=CC(=O)O)NC(=O)CCC(=O)OCCC(C)CCC=C(C)C

Isomeric SMILES

CC(CCC=C(C)C)CCOC(=O)CCC(=O)NC1=CC(=CC(=C1)/C=C/C(=O)O)NC(=O)CCC(=O)OCCC(C)CCC=C(C)C

InChI

InChI=1S/C37H54N2O8/c1-26(2)9-7-11-28(5)19-21-46-36(44)17-14-33(40)38-31-23-30(13-16-35(42)43)24-32(25-31)39-34(41)15-18-37(45)47-22-20-29(6)12-8-10-27(3)4/h9-10,13,16,23-25,28-29H,7-8,11-12,14-15,17-22H2,1-6H3,(H,38,40)(H,39,41)(H,42,43)/b16-13+