[4-(6-methylheptyl)phenyl] 4-(1,3-benzoxazol-2-yloxymethyl)benzoate

Systemtic Name: [4-(6-methylheptyl)phenyl] 4-(1,3-benzoxazol-2-yloxymethyl)benzoate Openeye Name: [4-(6-methylheptyl)phenyl] 4-(1,3-benzoxazol-2-yloxymethyl)benzoate CAS Name: 4-(1,3-benzoxazol-2-yloxymethyl)benzoic acid [4-(6-methylheptyl)phenyl] ester IUPAC Name: [4-(6-methylheptyl)phenyl] 4-(1,3-benzoxazol-2-yloxymethyl)benzoate Traditional Name: 4-(1,3-benzoxazol-2-yloxymethyl)benzoic acid [4-(6-methylheptyl)phenyl] ester Formula: C29H31NO4 MolecularWeight: 457.56074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)COC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)COC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C29H31NO4/c1-21(2)8-4-3-5-9-22-14-18-25(19-15-22)33-28(31)24-16-12-23(13-17-24)20-32-29-30-26-10-6-7-11-27(26)34-29/h6-7,10-19,21H,3-5,8-9,20H2,1-2H3