2-azanyl-4-[4-(4-phenylbutyl)phenoxy]pentanedioic acid

Systemtic Name: 2-azanyl-4-[4-(4-phenylbutyl)phenoxy]pentanedioic acid Openeye Name: 2-amino-4-[4-(4-phenylbutyl)phenoxy]pentanedioic acid CAS Name: 2-amino-4-[4-(4-phenylbutyl)phenoxy]pentanedioic acid IUPAC Name: 2-amino-4-[4-(4-phenylbutyl)phenoxy]pentanedioic acid Traditional Name: 2-amino-4-[4-(4-phenylbutyl)phenoxy]glutaric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)OC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)OC(CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C21H25NO5/c22-18(20(23)24)14-19(21(25)26)27-17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19H,4-5,8-9,14,22H2,(H,23,24)(H,25,26)