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

Systemtic Name: 2-[4-[4-(2-dimethylaminoethyloxy)-2-methyl-phenyl]-3-(phenylmethyl)phenoxy]ethanoic acid Openeye Name: 2-[3-benzyl-4-[4-(2-dimethylaminoethyloxy)-2-methyl-phenyl]phenoxy]acetic acid CAS Name: 2-[4-[4-(2-dimethylaminoethyloxy)-2-methylphenyl]-3-(phenylmethyl)phenoxy]acetic acid IUPAC Name: 2-[3-benzyl-4-[4-(2-dimethylaminoethyloxy)-2-methylphenyl]phenoxy]acetic acid Traditional Name: 2-[3-benzyl-4-[4-(2-dimethylaminoethyloxy)-2-methyl-phenyl]phenoxy]acetic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN(C)C)C2=C(C=C(C=C2)OCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN(C)C)C2=C(C=C(C=C2)OCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C26H29NO4/c1-19-15-22(30-14-13-27(2)3)9-11-24(19)25-12-10-23(31-18-26(28)29)17-21(25)16-20-7-5-4-6-8-20/h4-12,15,17H,13-14,16,18H2,1-3H3,(H,28,29)