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2-benzamido-3-[2-(2-ethylhexyl)-4-methoxy-phenyl]propanoic acid

2-benzamido-3-[2-(2-ethylhexyl)-4-methoxy-phenyl]propanoic acid

Systemtic Name:2-benzamido-3-[2-(2-ethylhexyl)-4-methoxy-phenyl]propanoic acid
Openeye Name:2-benzamido-3-[2-(2-ethylhexyl)-4-methoxy-phenyl]propanoic acid
CAS Name:2-benzamido-3-[2-(2-ethylhexyl)-4-methoxyphenyl]propanoic acid
IUPAC Name:2-benzamido-3-[2-(2-ethylhexyl)-4-methoxyphenyl]propanoic acid
Traditional Name:2-benzamido-3-[2-(2-ethylhexyl)-4-methoxy-phenyl]propionic acid
Formula: C25H33NO4
MolecularWeight: 411.53382
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C=CC(=C1)OC)CC(C(=O)O)NC(=O)C2=CC=CC=C2


Isomeric SMILES

CCCCC(CC)CC1=C(C=CC(=C1)OC)CC(C(=O)O)NC(=O)C2=CC=CC=C2


InChI

InChI=1S/C25H33NO4/c1-4-6-10-18(5-2)15-21-16-22(30-3)14-13-20(21)17-23(25(28)29)26-24(27)19-11-8-7-9-12-19/h7-9,11-14,16,18,23H,4-6,10,15,17H2,1-3H3,(H,26,27)(H,28,29)


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