3-[5-benzamido-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid

Systemtic Name: 3-[5-benzamido-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid Openeye Name: 3-[5-benzamido-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid CAS Name: 3-[5-benzamido-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid IUPAC Name: 3-[5-benzamido-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid Traditional Name: 3-[5-benzamido-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propionic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCOC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCOC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C29H31NO5/c1-34-26-16-12-22(13-17-26)9-5-2-3-8-20-35-27-18-15-25(21-24(27)14-19-28(31)32)30-29(33)23-10-6-4-7-11-23/h4-7,9-13,15-18,21H,2-3,8,14,19-20H2,1H3,(H,30,33)(H,31,32)/b9-5+