4-[2-[12-[(2-oxidanyl-2-phenyl-ethyl)amino]dodecyl]phenyl]butanoate

Systemtic Name: 4-[2-[12-[(2-oxidanyl-2-phenyl-ethyl)amino]dodecyl]phenyl]butanoate Openeye Name: 4-[2-[12-[(2-hydroxy-2-phenyl-ethyl)amino]dodecyl]phenyl]butanoate CAS Name: 4-[2-[12-[(2-hydroxy-2-phenylethyl)amino]dodecyl]phenyl]butanoate IUPAC Name: 4-[2-[12-[(2-hydroxy-2-phenylethyl)amino]dodecyl]phenyl]butanoate Traditional Name: 4-[2-[12-[(2-hydroxy-2-phenyl-ethyl)amino]dodecyl]phenyl]butyrate Formula: C30H44NO3- MolecularWeight: 466.67526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCCCCCCCCCCCCC2=CC=CC=C2CCCC(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CNCCCCCCCCCCCCC2=CC=CC=C2CCCC(=O)[O-])O

InChI

InChI=1S/C30H45NO3/c32-29(28-20-11-9-12-21-28)25-31-24-15-8-6-4-2-1-3-5-7-10-17-26-18-13-14-19-27(26)22-16-23-30(33)34/h9,11-14,18-21,29,31-32H,1-8,10,15-17,22-25H2,(H,33,34)/p-1