methyl 4-[2-[bis(1-oxidanyl-2-phenyl-ethyl)amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[bis(1-oxidanyl-2-phenyl-ethyl)amino]propyl]benzoate Openeye Name: methyl 4-[2-[bis(1-hydroxy-2-phenyl-ethyl)amino]propyl]benzoate CAS Name: 4-[2-[bis(1-hydroxy-2-phenylethyl)amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[bis(1-hydroxy-2-phenylethyl)amino]propyl]benzoate Traditional Name: 4-[2-[bis(1-hydroxy-2-phenyl-ethyl)amino]propyl]benzoic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)N(C(CC2=CC=CC=C2)O)C(CC3=CC=CC=C3)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)N(C(CC2=CC=CC=C2)O)C(CC3=CC=CC=C3)O

InChI

InChI=1S/C27H31NO4/c1-20(17-23-13-15-24(16-14-23)27(31)32-2)28(25(29)18-21-9-5-3-6-10-21)26(30)19-22-11-7-4-8-12-22/h3-16,20,25-26,29-30H,17-19H2,1-2H3