5-chloranyl-2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole Openeye Name: 5-chloro-2-[(E)-2-(4-isopentyloxy-3-methoxy-phenyl)vinyl]-1,3-benzoxazole CAS Name: 5-chloro-2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole IUPAC Name: 5-chloro-2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole Traditional Name: 5-chloro-2-[(E)-2-(4-isoamoxy-3-methoxy-phenyl)vinyl]-1,3-benzoxazole Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC2=NC3=C(O2)C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/C2=NC3=C(O2)C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H22ClNO3/c1-14(2)10-11-25-19-7-4-15(12-20(19)24-3)5-9-21-23-17-13-16(22)6-8-18(17)26-21/h4-9,12-14H,10-11H2,1-3H3/b9-5+