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2-[4-(11-phenylundecylamino)phenyl]carbonylpropanedioate

2-[4-(11-phenylundecylamino)phenyl]carbonylpropanedioate

Systemtic Name:2-[4-(11-phenylundecylamino)phenyl]carbonylpropanedioate
Openeye Name:2-[4-(11-phenylundecylamino)benzoyl]propanedioate
CAS Name:2-[oxo-[4-(11-phenylundecylamino)phenyl]methyl]propanedioate
IUPAC Name:2-[4-(11-phenylundecylamino)benzoyl]propanedioate
Traditional Name:2-[4-(11-phenylundecylamino)benzoyl]malonate
Formula: C27H33NO5-2
MolecularWeight: 451.55462
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)C(C(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)C(C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C27H35NO5/c29-25(24(26(30)31)27(32)33)22-16-18-23(19-17-22)28-20-12-7-5-3-1-2-4-6-9-13-21-14-10-8-11-15-21/h8,10-11,14-19,24,28H,1-7,9,12-13,20H2,(H,30,31)(H,32,33)/p-2


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