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

Systemtic Name: 2-ethoxy-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]benzoic acid Openeye Name: 2-ethoxy-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]benzoic acid CAS Name: 2-ethoxy-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]benzoic acid IUPAC Name: 2-ethoxy-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]benzoic acid Traditional Name: 2-ethoxy-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]benzoic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C25H27NO4/c1-2-30-24-16-21(12-13-22(24)25(28)29)19-10-8-18(9-11-19)14-15-26-17-23(27)20-6-4-3-5-7-20/h3-13,16,23,26-27H,2,14-15,17H2,1H3,(H,28,29)