3-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid

Systemtic Name: 3-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid Openeye Name: 3-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid CAS Name: 3-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid IUPAC Name: 3-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid Traditional Name: 3-[3-[4-(3-phenyl-7-propyl-indoxazen-6-yl)oxybutoxy]phenyl]propionic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCCOC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCCOC4=CC=CC(=C4)CCC(=O)O

InChI

InChI=1S/C29H31NO5/c1-2-9-24-26(16-15-25-28(30-35-29(24)25)22-11-4-3-5-12-22)34-19-7-6-18-33-23-13-8-10-21(20-23)14-17-27(31)32/h3-5,8,10-13,15-16,20H,2,6-7,9,14,17-19H2,1H3,(H,31,32)