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

Systemtic Name: 4-[4-[3-[[(4-pentan-3-ylphenyl)-propan-2-yl-amino]methyl]phenyl]phenoxy]butanoic acid Openeye Name: 4-[4-[3-[[4-(1-ethylpropyl)-N-isopropyl-anilino]methyl]phenyl]phenoxy]butanoic acid CAS Name: 4-[4-[3-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[3-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]phenoxy]butanoic acid Traditional Name: 4-[4-[3-[[4-(1-ethylpropyl)-N-isopropyl-anilino]methyl]phenyl]phenoxy]butyric acid Formula: C31H39NO3 MolecularWeight: 473.64626

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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)OCCCC(=O)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H39NO3/c1-5-25(6-2)26-12-16-29(17-13-26)32(23(3)4)22-24-9-7-10-28(21-24)27-14-18-30(19-15-27)35-20-8-11-31(33)34/h7,9-10,12-19,21,23,25H,5-6,8,11,20,22H2,1-4H3,(H,33,34)