2-[4-[3-[[(4-pentan-3-ylphenyl)-propan-2-yl-amino]methyl]phenyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[3-[[(4-pentan-3-ylphenyl)-propan-2-yl-amino]methyl]phenyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[3-[[4-(1-ethylpropyl)-N-isopropyl-anilino]methyl]phenyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[3-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[3-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[3-[[4-(1-ethylpropyl)-N-isopropyl-anilino]methyl]phenyl]phenoxy]-2-phenyl-acetic acid Formula: C35H39NO3 MolecularWeight: 521.68906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=C(C=C1)N(CC2=CC=CC(=C2)C3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)C(C)C

Isomeric SMILES

CCC(CC)C1=CC=C(C=C1)N(CC2=CC=CC(=C2)C3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)C(C)C

InChI

InChI=1S/C35H39NO3/c1-5-27(6-2)28-15-19-32(20-16-28)36(25(3)4)24-26-11-10-14-31(23-26)29-17-21-33(22-18-29)39-34(35(37)38)30-12-8-7-9-13-30/h7-23,25,27,34H,5-6,24H2,1-4H3,(H,37,38)