O1-[(E)-anthracen-9-ylmethylideneamino] O5-(4-oxidanylbutyl) 4-ethyl-2-methyl-pentanedioate

Systemtic Name: O1-[(E)-anthracen-9-ylmethylideneamino] O5-(4-oxidanylbutyl) 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-[(E)-9-anthrylmethyleneamino] O5-(4-hydroxybutyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-[(E)-9-anthracenylmethylideneamino] ester O5-(4-hydroxybutyl) ester IUPAC Name: 1-O-[(E)-anthracen-9-ylmethylideneamino] 5-O-(4-hydroxybutyl) 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-[(E)-9-anthrylmethyleneamino] ester O5-(4-hydroxybutyl) ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5/c1-3-20(27(31)32-15-9-8-14-29)16-19(2)26(30)33-28-18-25-23-12-6-4-10-21(23)17-22-11-5-7-13-24(22)25/h4-7,10-13,17-20,29H,3,8-9,14-16H2,1-2H3/b28-18+