2-methylbutyl 4-[(E)-2-(5-cyclohexyl-6-methyl-1,3-benzoxazol-2-yl)ethenyl]benzoate

Systemtic Name: 2-methylbutyl 4-[(E)-2-(5-cyclohexyl-6-methyl-1,3-benzoxazol-2-yl)ethenyl]benzoate Openeye Name: 2-methylbutyl 4-[(E)-2-(5-cyclohexyl-6-methyl-1,3-benzoxazol-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(5-cyclohexyl-6-methyl-1,3-benzoxazol-2-yl)ethenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[(E)-2-(5-cyclohexyl-6-methyl-1,3-benzoxazol-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(5-cyclohexyl-6-methyl-1,3-benzoxazol-2-yl)vinyl]benzoic acid 2-methylbutyl ester Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC=C(C=C1)C=CC2=NC3=C(O2)C=C(C(=C3)C4CCCCC4)C

Isomeric SMILES

CCC(C)COC(=O)C1=CC=C(C=C1)/C=C/C2=NC3=C(O2)C=C(C(=C3)C4CCCCC4)C

InChI

InChI=1S/C28H33NO3/c1-4-19(2)18-31-28(30)23-13-10-21(11-14-23)12-15-27-29-25-17-24(20(3)16-26(25)32-27)22-8-6-5-7-9-22/h10-17,19,22H,4-9,18H2,1-3H3/b15-12+