2-[2-butan-2-yl-4-[4-(2-dimethylaminoethyloxy)-3-(phenylmethyl)phenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-butan-2-yl-4-[4-(2-dimethylaminoethyloxy)-3-(phenylmethyl)phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3-benzyl-4-(2-dimethylaminoethyloxy)phenyl]-2-sec-butyl-phenoxy]acetic acid CAS Name: 2-[2-butan-2-yl-4-[4-(2-dimethylaminoethyloxy)-3-(phenylmethyl)phenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[3-benzyl-4-(2-dimethylaminoethyloxy)phenyl]-2-butan-2-ylphenoxy]acetic acid Traditional Name: 2-[4-[3-benzyl-4-(2-dimethylaminoethyloxy)phenyl]-2-sec-butyl-phenoxy]acetic acid Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)C2=CC(=C(C=C2)OCCN(C)C)CC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)C2=CC(=C(C=C2)OCCN(C)C)CC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C29H35NO4/c1-5-21(2)26-19-24(12-14-28(26)34-20-29(31)32)23-11-13-27(33-16-15-30(3)4)25(18-23)17-22-9-7-6-8-10-22/h6-14,18-19,21H,5,15-17,20H2,1-4H3,(H,31,32)