3-phenylpropyl 4-(5-butyl-1,3-benzoxazol-2-yl)benzoate

Systemtic Name: 3-phenylpropyl 4-(5-butyl-1,3-benzoxazol-2-yl)benzoate Openeye Name: 3-phenylpropyl 4-(5-butyl-1,3-benzoxazol-2-yl)benzoate CAS Name: 4-(5-butyl-1,3-benzoxazol-2-yl)benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(5-butyl-1,3-benzoxazol-2-yl)benzoate Traditional Name: 4-(5-butyl-1,3-benzoxazol-2-yl)benzoic acid 3-phenylpropyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C27H27NO3/c1-2-3-8-21-12-17-25-24(19-21)28-26(31-25)22-13-15-23(16-14-22)27(29)30-18-7-11-20-9-5-4-6-10-20/h4-6,9-10,12-17,19H,2-3,7-8,11,18H2,1H3