(2E,4E)-2,4-bis(azanyl)-5-decan-2-yloxycarbonyl-7-phenyl-3-propyl-hepta-2,4-dienoic acid

Systemtic Name: (2E,4E)-2,4-bis(azanyl)-5-decan-2-yloxycarbonyl-7-phenyl-3-propyl-hepta-2,4-dienoic acid Openeye Name: (2E,4E)-2,4-diamino-5-(1-methylnonoxycarbonyl)-7-phenyl-3-propyl-hepta-2,4-dienoic acid CAS Name: (2E,4E)-2,4-diamino-5-[decan-2-yloxy(oxo)methyl]-7-phenyl-3-propylhepta-2,4-dienoic acid IUPAC Name: (2E,4E)-2,4-diamino-5-decan-2-yloxycarbonyl-7-phenyl-3-propylhepta-2,4-dienoic acid Traditional Name: (2E,4E)-2,4-diamino-5-(1-methylnonoxycarbonyl)-7-phenyl-3-propyl-hepta-2,4-dienoic acid Formula: C27H42N2O4 MolecularWeight: 458.63338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)OC(=O)C(=C(C(=C(C(=O)O)N)CCC)N)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(C)OC(=O)/C(=C(\C(=C(/C(=O)O)\N)\CCC)/N)/CCC1=CC=CC=C1

InChI

InChI=1S/C27H42N2O4/c1-4-6-7-8-9-11-15-20(3)33-27(32)23(19-18-21-16-12-10-13-17-21)24(28)22(14-5-2)25(29)26(30)31/h10,12-13,16-17,20H,4-9,11,14-15,18-19,28-29H2,1-3H3,(H,30,31)/b24-23+,25-22+