2-[4-[3-[(2-phenyl-6-propyl-1,3-benzoxazol-5-yl)oxy]propylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[(2-phenyl-6-propyl-1,3-benzoxazol-5-yl)oxy]propylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[3-[(2-phenyl-6-propyl-1,3-benzoxazol-5-yl)oxy]propylamino]phenyl]acetic acid CAS Name: 2-[4-[3-[(2-phenyl-6-propyl-1,3-benzoxazol-5-yl)oxy]propylamino]phenyl]acetic acid IUPAC Name: 2-[4-[3-[(2-phenyl-6-propyl-1,3-benzoxazol-5-yl)oxy]propylamino]phenyl]acetic acid Traditional Name: 2-[4-[3-[(2-phenyl-6-propyl-1,3-benzoxazol-5-yl)oxy]propylamino]phenyl]acetic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1OCCCNC3=CC=C(C=C3)CC(=O)O)N=C(O2)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC2=C(C=C1OCCCNC3=CC=C(C=C3)CC(=O)O)N=C(O2)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-2-7-21-17-25-23(29-27(33-25)20-8-4-3-5-9-20)18-24(21)32-15-6-14-28-22-12-10-19(11-13-22)16-26(30)31/h3-5,8-13,17-18,28H,2,6-7,14-16H2,1H3,(H,30,31)