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(E)-3-(1,3-benzoxazol-2-yl)-4-(4-pentoxyphenyl)but-3-enoic acid

(E)-3-(1,3-benzoxazol-2-yl)-4-(4-pentoxyphenyl)but-3-enoic acid

Systemtic Name:(E)-3-(1,3-benzoxazol-2-yl)-4-(4-pentoxyphenyl)but-3-enoic acid
Openeye Name:(E)-3-(1,3-benzoxazol-2-yl)-4-(4-pentoxyphenyl)but-3-enoic acid
CAS Name:(E)-3-(1,3-benzoxazol-2-yl)-4-(4-pentoxyphenyl)-3-butenoic acid
IUPAC Name:(E)-3-(1,3-benzoxazol-2-yl)-4-(4-pentoxyphenyl)but-3-enoic acid
Traditional Name:(E)-4-(4-amoxyphenyl)-3-(1,3-benzoxazol-2-yl)but-3-enoic acid
Formula: C22H23NO4
MolecularWeight: 365.42232
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3O2


Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2


InChI

InChI=1S/C22H23NO4/c1-2-3-6-13-26-18-11-9-16(10-12-18)14-17(15-21(24)25)22-23-19-7-4-5-8-20(19)27-22/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,24,25)/b17-14+


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