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2-[4-(octadecylamino)phenyl]carbonylpropanedioate

2-[4-(octadecylamino)phenyl]carbonylpropanedioate

Systemtic Name:2-[4-(octadecylamino)phenyl]carbonylpropanedioate
Openeye Name:2-[4-(octadecylamino)benzoyl]propanedioate
CAS Name:2-[[4-(octadecylamino)phenyl]-oxomethyl]propanedioate
IUPAC Name:2-[4-(octadecylamino)benzoyl]propanedioate
Traditional Name:2-[4-(stearylamino)benzoyl]malonate
Formula: C28H43NO5-2
MolecularWeight: 473.64472
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C28H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-20-18-23(19-21-24)26(30)25(27(31)32)28(33)34/h18-21,25,29H,2-17,22H2,1H3,(H,31,32)(H,33,34)/p-2


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