methyl 4-[3-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]butyl]benzoate

Systemtic Name: methyl 4-[3-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]butyl]benzoate Openeye Name: methyl 4-[3-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]butyl]benzoate CAS Name: 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]benzoate Traditional Name: 4-[3-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]butyl]benzoic acid methyl ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=CC=C2)Cl)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C20H24ClNO3/c1-14(22-13-19(23)17-4-3-5-18(21)12-17)6-7-15-8-10-16(11-9-15)20(24)25-2/h3-5,8-12,14,19,22-23H,6-7,13H2,1-2H3