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

Systemtic Name: 3-[3-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-propan-2-yloxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-isopropoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-[[[(2-chloro-4-propoxyphenyl)-oxomethyl]amino]methyl]-4-propan-2-yloxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-propan-2-yloxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-isopropoxy-phenyl]-2-isopropoxy-propionic acid Formula: C26H34ClNO6 MolecularWeight: 492.00426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClNO6/c1-6-11-32-20-8-9-21(22(27)14-20)25(29)28-15-19-12-18(7-10-23(19)33-16(2)3)13-24(26(30)31)34-17(4)5/h7-10,12,14,16-17,24H,6,11,13,15H2,1-5H3,(H,28,29)(H,30,31)