3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-5-methyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-5-methyl-1,3-benzoxazol-2-one Openeye Name: 3-[(4-isopentyloxy-3-methoxy-phenyl)methyl]-5-methyl-1,3-benzoxazol-2-one CAS Name: 3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-5-methyl-1,3-benzoxazol-2-one IUPAC Name: 3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-5-methyl-1,3-benzoxazol-2-one Traditional Name: 3-(4-isoamoxy-3-methoxy-benzyl)-5-methyl-1,3-benzoxazol-2-one Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)N2CC3=CC(=C(C=C3)OCCC(C)C)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)N2CC3=CC(=C(C=C3)OCCC(C)C)OC

InChI

InChI=1S/C21H25NO4/c1-14(2)9-10-25-19-8-6-16(12-20(19)24-4)13-22-17-11-15(3)5-7-18(17)26-21(22)23/h5-8,11-12,14H,9-10,13H2,1-4H3