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

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]-2-propoxy-benzoic acid Openeye Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-2-propoxy-benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-2-propoxybenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-2-propoxybenzoic acid Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-2-propoxy-benzoic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C27H31NO4/c1-3-15-32-26-17-23(13-14-24(26)27(30)31)21-11-9-20(10-12-21)16-19(2)28-18-25(29)22-7-5-4-6-8-22/h4-14,17,19,25,28-29H,3,15-16,18H2,1-2H3,(H,30,31)