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(E)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1H-imidazol-5-yl)but-2-enoic acid

(E)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1H-imidazol-5-yl)but-2-enoic acid

Systemtic Name:(E)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1H-imidazol-5-yl)but-2-enoic acid
Openeye Name:(E)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1H-imidazol-5-yl)but-2-enoic acid
CAS Name:(E)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1H-imidazol-5-yl)-2-butenoic acid
IUPAC Name:(E)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1H-imidazol-5-yl)but-2-enoic acid
Traditional Name:(E)-3-(1H-imidazol-5-yl)-2-veratryl-but-2-enoic acid
Formula: C16H18N2O4
MolecularWeight: 302.32512
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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC1=CC(=C(C=C1)OC)OC)C(=O)O)C2=CN=CN2


Isomeric SMILES

C/C(=C(/CC1=CC(=C(C=C1)OC)OC)\C(=O)O)/C2=CN=CN2


InChI

InChI=1S/C16H18N2O4/c1-10(13-8-17-9-18-13)12(16(19)20)6-11-4-5-14(21-2)15(7-11)22-3/h4-5,7-9H,6H2,1-3H3,(H,17,18)(H,19,20)/b12-10+


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