2-azanyl-3-[4-(1-phenylhexyl)phenoxy]pentanedioic acid

Systemtic Name: 2-azanyl-3-[4-(1-phenylhexyl)phenoxy]pentanedioic acid Openeye Name: 2-amino-3-[4-(1-phenylhexyl)phenoxy]pentanedioic acid CAS Name: 2-amino-3-[4-(1-phenylhexyl)phenoxy]pentanedioic acid IUPAC Name: 2-amino-3-[4-(1-phenylhexyl)phenoxy]pentanedioic acid Traditional Name: 2-amino-3-[4-(1-phenylhexyl)phenoxy]glutaric acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)C2=CC=C(C=C2)OC(CC(=O)O)C(C(=O)O)N

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)C2=CC=C(C=C2)OC(CC(=O)O)C(C(=O)O)N

InChI

InChI=1S/C23H29NO5/c1-2-3-5-10-19(16-8-6-4-7-9-16)17-11-13-18(14-12-17)29-20(15-21(25)26)22(24)23(27)28/h4,6-9,11-14,19-20,22H,2-3,5,10,15,24H2,1H3,(H,25,26)(H,27,28)