methyl 4-[2-[[2-(2-chloranyl-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[[2-(2-chloranyl-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-(4-benzyloxy-2-chloro-phenyl)-2-hydroxy-ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-(2-chloro-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(2-chloro-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]propyl]benzoate Traditional Name: 4-[2-[[2-(4-benzoxy-2-chloro-phenyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid methyl ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=C(C=C(C=C2)OCC3=CC=CC=C3)Cl)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=C(C=C(C=C2)OCC3=CC=CC=C3)Cl)O

InChI

InChI=1S/C26H28ClNO4/c1-18(14-19-8-10-21(11-9-19)26(30)31-2)28-16-25(29)23-13-12-22(15-24(23)27)32-17-20-6-4-3-5-7-20/h3-13,15,18,25,28-29H,14,16-17H2,1-2H3