3-[3-[[(4-cyclohexylphenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propoxy-propanoic acid

Systemtic Name: 3-[3-[[(4-cyclohexylphenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[3-[[(4-cyclohexylbenzoyl)amino]methyl]-4-methoxy-phenyl]-2-propoxy-propanoic acid CAS Name: 3-[3-[[[(4-cyclohexylphenyl)-oxomethyl]amino]methyl]-4-methoxyphenyl]-2-propoxypropanoic acid IUPAC Name: 3-[3-[[(4-cyclohexylbenzoyl)amino]methyl]-4-methoxyphenyl]-2-propoxypropanoic acid Traditional Name: 3-[3-[[(4-cyclohexylbenzoyl)amino]methyl]-4-methoxy-phenyl]-2-propoxy-propionic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)O

Isomeric SMILES

CCCOC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)O

InChI

InChI=1S/C27H35NO5/c1-3-15-33-25(27(30)31)17-19-9-14-24(32-2)23(16-19)18-28-26(29)22-12-10-21(11-13-22)20-7-5-4-6-8-20/h9-14,16,20,25H,3-8,15,17-18H2,1-2H3,(H,28,29)(H,30,31)