4-[1-[3-[[4-(3-methylbutyl)phenoxy]methyl]phenyl]carbonylindol-3-yl]butanoic acid

Systemtic Name: 4-[1-[3-[[4-(3-methylbutyl)phenoxy]methyl]phenyl]carbonylindol-3-yl]butanoic acid Openeye Name: 4-[1-[3-[(4-isopentylphenoxy)methyl]benzoyl]indol-3-yl]butanoic acid CAS Name: 4-[1-[[3-[[4-(3-methylbutyl)phenoxy]methyl]phenyl]-oxomethyl]-3-indolyl]butanoic acid IUPAC Name: 4-[1-[3-[[4-(3-methylbutyl)phenoxy]methyl]benzoyl]indol-3-yl]butanoic acid Traditional Name: 4-[1-[3-[(4-isoamylphenoxy)methyl]benzoyl]indol-3-yl]butyric acid Formula: C31H33NO4 MolecularWeight: 483.59802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3C=C(C4=CC=CC=C43)CCCC(=O)O

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3C=C(C4=CC=CC=C43)CCCC(=O)O

InChI

InChI=1S/C31H33NO4/c1-22(2)13-14-23-15-17-27(18-16-23)36-21-24-7-5-8-25(19-24)31(35)32-20-26(9-6-12-30(33)34)28-10-3-4-11-29(28)32/h3-5,7-8,10-11,15-20,22H,6,9,12-14,21H2,1-2H3,(H,33,34)