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

Systemtic Name: 3-[3-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-cyclopentyloxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-(cyclopentoxy)phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-[[[(2-chloro-4-propoxyphenyl)-oxomethyl]amino]methyl]-4-cyclopentyloxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-cyclopentyloxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-(cyclopentoxy)phenyl]-2-isopropoxy-propionic acid Formula: C28H36ClNO6 MolecularWeight: 518.04154

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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)OC3CCCC3)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)CC(C(=O)O)OC(C)C)OC3CCCC3)Cl

InChI

InChI=1S/C28H36ClNO6/c1-4-13-34-22-10-11-23(24(29)16-22)27(31)30-17-20-14-19(15-26(28(32)33)35-18(2)3)9-12-25(20)36-21-7-5-6-8-21/h9-12,14,16,18,21,26H,4-8,13,15,17H2,1-3H3,(H,30,31)(H,32,33)