2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]carbonylpropanedioate

Systemtic Name: 2-[3-[[(E)-pentadec-4-enyl]amino]phenyl]carbonylpropanedioate Openeye Name: 2-[3-[[(E)-pentadec-4-enyl]amino]benzoyl]propanedioate CAS Name: 2-[oxo-[3-[[(E)-pentadec-4-enyl]amino]phenyl]methyl]propanedioate IUPAC Name: 2-[3-[[(E)-pentadec-4-enyl]amino]benzoyl]propanedioate Traditional Name: 2-[3-[[(E)-pentadec-4-enyl]amino]benzoyl]malonate Formula: C25H35NO5-2 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCNC1=CC=CC(=C1)C(=O)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C25H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-26-21-17-15-16-20(19-21)23(27)22(24(28)29)25(30)31/h11-12,15-17,19,22,26H,2-10,13-14,18H2,1H3,(H,28,29)(H,30,31)/p-2/b12-11+