4-azanylbutyl 3-(4-hydroxyphenyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)amino]propanoate

Systemtic Name: 4-azanylbutyl 3-(4-hydroxyphenyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)amino]propanoate Openeye Name: 4-aminobutyl 3-(4-hydroxyphenyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)amino]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)amino]propanoic acid 4-aminobutyl ester IUPAC Name: 4-aminobutyl 3-(4-hydroxyphenyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)amino]propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)amino]propionic acid 4-aminobutyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)NC(CC4=CC=C(C=C4)O)C(=O)OCCCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)NC(CC4=CC=C(C=C4)O)C(=O)OCCCCN

InChI

InChI=1S/C26H27N3O4/c27-14-4-5-15-32-25(31)23(16-18-8-11-21(30)12-9-18)29-26-28-22-17-20(10-13-24(22)33-26)19-6-2-1-3-7-19/h1-3,6-13,17,23,30H,4-5,14-16,27H2,(H,28,29)