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2-[4-(9-phenylnon-5-ynylamino)phenyl]carbonyloxybutanedioic acid

2-[4-(9-phenylnon-5-ynylamino)phenyl]carbonyloxybutanedioic acid

Systemtic Name:2-[4-(9-phenylnon-5-ynylamino)phenyl]carbonyloxybutanedioic acid
Openeye Name:2-[4-(9-phenylnon-5-ynylamino)benzoyl]oxybutanedioic acid
CAS Name:2-[oxo-[4-(9-phenylnon-5-ynylamino)phenyl]methoxy]butanedioic acid
IUPAC Name:2-[4-(9-phenylnon-5-ynylamino)benzoyl]oxybutanedioic acid
Traditional Name:2-[4-(9-phenylnon-5-ynylamino)benzoyl]oxysuccinic acid
Formula: C26H29NO6
MolecularWeight: 451.51156
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC#CCCCCNC2=CC=C(C=C2)C(=O)OC(CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCC#CCCCCNC2=CC=C(C=C2)C(=O)OC(CC(=O)O)C(=O)O


InChI

InChI=1S/C26H29NO6/c28-24(29)19-23(25(30)31)33-26(32)21-14-16-22(17-15-21)27-18-10-5-3-1-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-17,23,27H,3-5,7,10-11,18-19H2,(H,28,29)(H,30,31)


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