diethyl 2-oxidanyl-3-[4-[[(E)-tetradec-4-enyl]amino]phenyl]carbonyloxy-butanedioate

Systemtic Name: diethyl 2-oxidanyl-3-[4-[[(E)-tetradec-4-enyl]amino]phenyl]carbonyloxy-butanedioate Openeye Name: diethyl 2-hydroxy-3-[4-[[(E)-tetradec-4-enyl]amino]benzoyl]oxy-butanedioate CAS Name: 2-hydroxy-3-[oxo-[4-[[(E)-tetradec-4-enyl]amino]phenyl]methoxy]butanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-3-[4-[[(E)-tetradec-4-enyl]amino]benzoyl]oxybutanedioate Traditional Name: 2-hydroxy-3-[4-[[(E)-tetradec-4-enyl]amino]benzoyl]oxy-succinic acid diethyl ester Formula: C29H45NO7 MolecularWeight: 519.6701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCCCNC1=CC=C(C=C1)C(=O)OC(C(C(=O)OCC)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCC/C=C/CCCNC1=CC=C(C=C1)C(=O)OC(C(C(=O)OCC)O)C(=O)OCC

InChI

InChI=1S/C29H45NO7/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-30-24-20-18-23(19-21-24)27(32)37-26(29(34)36-6-3)25(31)28(33)35-5-2/h14-15,18-21,25-26,30-31H,4-13,16-17,22H2,1-3H3/b15-14+