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2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]butanedioic acid

2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]butanedioic acid

Systemtic Name:2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]butanedioic acid
Openeye Name:2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]butanedioic acid
CAS Name:2-[3-[4-(hexadecylamino)phenyl]-1-oxopropoxy]butanedioic acid
IUPAC Name:2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]butanedioic acid
Traditional Name:2-[3-[4-(cetylamino)phenyl]propanoyloxy]succinic acid
Formula: C29H47NO6
MolecularWeight: 505.68658
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OC(CC(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OC(CC(=O)O)C(=O)O


InChI

InChI=1S/C29H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-25-19-16-24(17-20-25)18-21-28(33)36-26(29(34)35)23-27(31)32/h16-17,19-20,26,30H,2-15,18,21-23H2,1H3,(H,31,32)(H,34,35)


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