(2-methylphenyl)methyl (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (2-methylphenyl)methyl (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: o-tolylmethyl (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid (2-methylbenzyl) ester Formula: C18H17BrO4 MolecularWeight: 377.22918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C=CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CC1=CC=CC=C1COC(=O)/C=C/C2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C18H17BrO4/c1-12-5-3-4-6-14(12)11-23-17(20)8-7-13-9-15(19)18(21)16(10-13)22-2/h3-10,21H,11H2,1-2H3/b8-7+