4-[3-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-phenylmethoxy-phenyl]propyl]benzoic acid

Systemtic Name: 4-[3-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-phenylmethoxy-phenyl]propyl]benzoic acid Openeye Name: 4-[3-[5-(2-amino-2-oxo-ethoxy)-2-benzyloxy-phenyl]propyl]benzoic acid CAS Name: 4-[3-[5-(2-amino-2-oxoethoxy)-2-phenylmethoxyphenyl]propyl]benzoic acid IUPAC Name: 4-[3-[5-(2-amino-2-oxoethoxy)-2-phenylmethoxyphenyl]propyl]benzoic acid Traditional Name: 4-[3-[5-(2-amino-2-keto-ethoxy)-2-benzoxy-phenyl]propyl]benzoic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCC(=O)N)CCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCC(=O)N)CCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H25NO5/c26-24(27)17-30-22-13-14-23(31-16-19-5-2-1-3-6-19)21(15-22)8-4-7-18-9-11-20(12-10-18)25(28)29/h1-3,5-6,9-15H,4,7-8,16-17H2,(H2,26,27)(H,28,29)