2-[5-methoxy-2-methyl-1-[4-(3-phenylpropoxy)phenyl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-1-[4-(3-phenylpropoxy)phenyl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-[4-(3-phenylpropoxy)benzoyl]indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-1-[oxo-[4-(3-phenylpropoxy)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-[4-(3-phenylpropoxy)benzoyl]indol-3-yl]acetic acid Traditional Name: 2-[5-methoxy-2-methyl-1-[4-(3-phenylpropoxy)benzoyl]indol-3-yl]acetic acid Formula: C28H27NO5 MolecularWeight: 457.51768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OCCCC4=CC=CC=C4)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OCCCC4=CC=CC=C4)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C28H27NO5/c1-19-24(18-27(30)31)25-17-23(33-2)14-15-26(25)29(19)28(32)21-10-12-22(13-11-21)34-16-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-15,17H,6,9,16,18H2,1-2H3,(H,30,31)