O1-[(E)-anthracen-9-ylmethylideneamino] O3-methyl O5-(4-oxidanylbutyl) 1,3-dimethylheptane-1,3,5-tricarboxylate

Systemtic Name: O1-[(E)-anthracen-9-ylmethylideneamino] O3-methyl O5-(4-oxidanylbutyl) 1,3-dimethylheptane-1,3,5-tricarboxylate Openeye Name: O1-[(E)-9-anthrylmethyleneamino] O5-(4-hydroxybutyl) O3-methyl 1,3-dimethylheptane-1,3,5-tricarboxylate CAS Name: 1,3-dimethylheptane-1,3,5-tricarboxylic acid O1-[(E)-9-anthracenylmethylideneamino] ester O5-(4-hydroxybutyl) ester O3-methyl ester IUPAC Name: 1-O-[(E)-anthracen-9-ylmethylideneamino] 5-O-(4-hydroxybutyl) 3-O-methyl 1,3-dimethylheptane-1,3,5-tricarboxylate Traditional Name: 1,3-dimethylheptane-1,3,5-tricarboxylic acid O1-[(E)-9-anthrylmethyleneamino] ester O5-(4-hydroxybutyl) ester O3-methyl ester Formula: C32H39NO7 MolecularWeight: 549.65456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(CC(C)C(=O)ON=CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC)C(=O)OCCCCO

Isomeric SMILES

CCC(CC(C)(CC(C)C(=O)O/N=C/C1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC)C(=O)OCCCCO

InChI

InChI=1S/C32H39NO7/c1-5-23(30(36)39-17-11-10-16-34)20-32(3,31(37)38-4)19-22(2)29(35)40-33-21-28-26-14-8-6-12-24(26)18-25-13-7-9-15-27(25)28/h6-9,12-15,18,21-23,34H,5,10-11,16-17,19-20H2,1-4H3/b33-21+