4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-phenylmethoxy-benzoic acid

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-phenylmethoxybenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]benzoic acid Formula: C30H29NO4 MolecularWeight: 467.55556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C30H29NO4/c32-28(25-9-5-2-6-10-25)20-31-18-17-22-11-13-24(14-12-22)26-15-16-27(30(33)34)29(19-26)35-21-23-7-3-1-4-8-23/h1-16,19,28,31-32H,17-18,20-21H2,(H,33,34)