4-[(4-octoxynaphthalen-1-yl)methylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[(4-octoxynaphthalen-1-yl)methylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-4-[(4-octoxy-1-naphthyl)methylamino]butanoic acid CAS Name: 3-hydroxy-4-[(4-octoxy-1-naphthalenyl)methylamino]butanoic acid IUPAC Name: 3-hydroxy-4-[(4-octoxynaphthalen-1-yl)methylamino]butanoic acid Traditional Name: 3-hydroxy-4-[(4-octoxy-1-naphthyl)methylamino]butyric acid Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C2=CC=CC=C21)CNCC(CC(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C2=CC=CC=C21)CNCC(CC(=O)O)O

InChI

InChI=1S/C23H33NO4/c1-2-3-4-5-6-9-14-28-22-13-12-18(20-10-7-8-11-21(20)22)16-24-17-19(25)15-23(26)27/h7-8,10-13,19,24-25H,2-6,9,14-17H2,1H3,(H,26,27)