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

Systemtic Name: 3-[4-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid Openeye Name: 3-[4-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid CAS Name: 3-[4-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]propanoic acid Traditional Name: 3-[4-[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=C(C=C4)CCC(=O)O

Isomeric SMILES

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

InChI

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