[4-[(E)-3-[(3E)-3-[[4-[2,6-bis(azanyl)hexanoyloxy]-3-methoxy-phenyl]methylidene]-2-oxidanyl-cyclohexen-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,6-bis(azanyl)hexanoate

Systemtic Name: [4-[(E)-3-[(3E)-3-[[4-[2,6-bis(azanyl)hexanoyloxy]-3-methoxy-phenyl]methylidene]-2-oxidanyl-cyclohexen-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,6-bis(azanyl)hexanoate Openeye Name: [4-[(E)-3-[(3E)-3-[[4-(2,6-diaminohexanoyloxy)-3-methoxy-phenyl]methylene]-2-hydroxy-cyclohexen-1-yl]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [4-[(E)-3-[(3E)-3-[[4-(2,6-diamino-1-oxohexoxy)-3-methoxyphenyl]methylidene]-2-hydroxy-1-cyclohexenyl]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-[(3E)-3-[[4-(2,6-diaminohexanoyloxy)-3-methoxyphenyl]methylidene]-2-hydroxycyclohexen-1-yl]-3-oxoprop-1-enyl]-2-methoxyphenyl] 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [4-[(E)-3-[(3E)-3-[4-(2,6-diaminohexanoyloxy)-3-methoxy-benzylidene]-2-hydroxy-cyclohexen-1-yl]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C36H48N4O8 MolecularWeight: 664.78832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=C(C(=CC3=CC(=C(C=C3)OC(=O)C(CCCCN)N)OC)CCC2)O)OC(=O)C(CCCCN)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(/C(=C/C3=CC(=C(C=C3)OC(=O)C(CCCCN)N)OC)/CCC2)O)OC(=O)C(CCCCN)N

InChI

InChI=1S/C36H48N4O8/c1-45-32-21-23(13-16-30(32)47-35(43)27(39)10-3-5-18-37)12-15-29(41)26-9-7-8-25(34(26)42)20-24-14-17-31(33(22-24)46-2)48-36(44)28(40)11-4-6-19-38/h12-17,20-22,27-28,42H,3-11,18-19,37-40H2,1-2H3/b15-12+,25-20+