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

Systemtic Name: ethyl 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoate Openeye Name: ethyl 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoate CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoate Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid ethyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO3/c1-3-30-26(29)24-15-13-22(14-16-24)21-11-9-20(10-12-21)17-19(2)27-18-25(28)23-7-5-4-6-8-23/h4-16,19,25,27-28H,3,17-18H2,1-2H3