diethyl 2-[4-[(6-methoxy-6-oxidanylidene-hexyl)amino]phenyl]carbonyloxy-3-oxidanyl-butanedioate

Systemtic Name: diethyl 2-[4-[(6-methoxy-6-oxidanylidene-hexyl)amino]phenyl]carbonyloxy-3-oxidanyl-butanedioate Openeye Name: diethyl 2-hydroxy-3-[4-[(6-methoxy-6-oxo-hexyl)amino]benzoyl]oxy-butanedioate CAS Name: 2-hydroxy-3-[[4-[(6-methoxy-6-oxohexyl)amino]phenyl]-oxomethoxy]butanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-3-[4-[(6-methoxy-6-oxohexyl)amino]benzoyl]oxybutanedioate Traditional Name: 2-hydroxy-3-[4-[(6-keto-6-methoxy-hexyl)amino]benzoyl]oxy-succinic acid diethyl ester Formula: C22H31NO9 MolecularWeight: 453.48284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)OCC)OC(=O)C1=CC=C(C=C1)NCCCCCC(=O)OC)O

Isomeric SMILES

CCOC(=O)C(C(C(=O)OCC)OC(=O)C1=CC=C(C=C1)NCCCCCC(=O)OC)O

InChI

InChI=1S/C22H31NO9/c1-4-30-21(27)18(25)19(22(28)31-5-2)32-20(26)15-10-12-16(13-11-15)23-14-8-6-7-9-17(24)29-3/h10-13,18-19,23,25H,4-9,14H2,1-3H3