3-[[(E)-3-[4-(3-cyclohexylpropoxy)-2-methyl-phenyl]prop-2-enyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-3-[4-(3-cyclohexylpropoxy)-2-methyl-phenyl]prop-2-enyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-[4-(3-cyclohexylpropoxy)-2-methyl-phenyl]allyl]amino]propanoic acid CAS Name: 3-[[(E)-3-[4-(3-cyclohexylpropoxy)-2-methylphenyl]prop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-[4-(3-cyclohexylpropoxy)-2-methylphenyl]prop-2-enyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-[4-(3-cyclohexylpropoxy)-2-methyl-phenyl]allyl]amino]propionic acid Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC2CCCCC2)C=CCNCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC2CCCCC2)/C=C/CNCCC(=O)O

InChI

InChI=1S/C22H33NO3/c1-18-17-21(26-16-6-9-19-7-3-2-4-8-19)12-11-20(18)10-5-14-23-15-13-22(24)25/h5,10-12,17,19,23H,2-4,6-9,13-16H2,1H3,(H,24,25)/b10-5+