methyl 4-[[1-(2-chloranyl-4-phenylmethoxy-phenyl)-1-oxidanyl-pentan-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[1-(2-chloranyl-4-phenylmethoxy-phenyl)-1-oxidanyl-pentan-2-yl]amino]benzoate Openeye Name: methyl 4-[1-[(4-benzyloxy-2-chloro-phenyl)-hydroxy-methyl]butylamino]benzoate CAS Name: 4-[[1-(2-chloro-4-phenylmethoxyphenyl)-1-hydroxypentan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-chloro-4-phenylmethoxyphenyl)-1-hydroxypentan-2-yl]amino]benzoate Traditional Name: 4-[1-[(4-benzoxy-2-chloro-phenyl)-hydroxy-methyl]butylamino]benzoic acid methyl ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=C(C=C(C=C1)OCC2=CC=CC=C2)Cl)O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC(C(C1=C(C=C(C=C1)OCC2=CC=CC=C2)Cl)O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H28ClNO4/c1-3-7-24(28-20-12-10-19(11-13-20)26(30)31-2)25(29)22-15-14-21(16-23(22)27)32-17-18-8-5-4-6-9-18/h4-6,8-16,24-25,28-29H,3,7,17H2,1-2H3