3-[2-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-ethoxy-phenyl]-3-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[2-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-ethoxy-phenyl]-3-propan-2-yloxy-propanoic acid Openeye Name: 3-[2-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-ethoxy-phenyl]-3-isopropoxy-propanoic acid CAS Name: 3-[2-[[[(2-chloro-4-propoxyphenyl)-oxomethyl]amino]methyl]-4-ethoxyphenyl]-3-propan-2-yloxypropanoic acid IUPAC Name: 3-[2-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-ethoxyphenyl]-3-propan-2-yloxypropanoic acid Traditional Name: 3-[2-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-ethoxy-phenyl]-3-isopropoxy-propionic acid Formula: C25H32ClNO6 MolecularWeight: 477.97768

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)OCC)C(CC(=O)O)OC(C)C)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)OCC)C(CC(=O)O)OC(C)C)Cl

InChI

InChI=1S/C25H32ClNO6/c1-5-11-32-19-8-10-21(22(26)13-19)25(30)27-15-17-12-18(31-6-2)7-9-20(17)23(14-24(28)29)33-16(3)4/h7-10,12-13,16,23H,5-6,11,14-15H2,1-4H3,(H,27,30)(H,28,29)