2-[[4-[3-[(cyclopentylamino)methyl]-4-oxidanyl-phenoxy]-3-methyl-phenyl]-methyl-amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-[3-[(cyclopentylamino)methyl]-4-oxidanyl-phenoxy]-3-methyl-phenyl]-methyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-[(cyclopentylamino)methyl]-4-hydroxy-phenoxy]-N,3-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-[(cyclopentylamino)methyl]-4-hydroxyphenoxy]-N,3-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-[(cyclopentylamino)methyl]-4-hydroxyphenoxy]-N,3-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-[(cyclopentylamino)methyl]-4-hydroxy-phenoxy]-N,3-dimethyl-anilino]-2-keto-acetic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C)C(=O)C(=O)O)OC2=CC(=C(C=C2)O)CNC3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)N(C)C(=O)C(=O)O)OC2=CC(=C(C=C2)O)CNC3CCCC3

InChI

InChI=1S/C22H26N2O5/c1-14-11-17(24(2)21(26)22(27)28)7-10-20(14)29-18-8-9-19(25)15(12-18)13-23-16-5-3-4-6-16/h7-12,16,23,25H,3-6,13H2,1-2H3,(H,27,28)