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

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-prop-2-enoxy-benzoic acid Openeye Name: 2-allyloxy-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-prop-2-enoxybenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-prop-2-enoxybenzoic acid Traditional Name: 2-allyloxy-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]benzoic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-2-16-31-25-17-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-18-24(28)21-6-4-3-5-7-21/h2-13,17,24,27-28H,1,14-16,18H2,(H,29,30)