2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoic acid; 1-methyl-3-phenyl-benzene

Systemtic Name: 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoic acid; 1-methyl-3-phenyl-benzene Openeye Name: 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoic acid; 1-methyl-3-phenyl-benzene CAS Name: 2-ethoxy-3-[4-[2-(1-pyrrolyl)ethoxy]phenyl]propanoic acid; 1-methyl-3-phenylbenzene IUPAC Name: 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoic acid; 1-methyl-3-phenylbenzene Traditional Name: 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propionic acid; 1-methyl-3-phenyl-benzene Formula: C30H33NO4 MolecularWeight: 471.58732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C=CC=C2)C(=O)O.CC1=CC=CC(=C1)C2=CC=CC=C2

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C=CC=C2)C(=O)O.CC1=CC=CC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO4.C13H12/c1-2-21-16(17(19)20)13-14-5-7-15(8-6-14)22-12-11-18-9-3-4-10-18;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h3-10,16H,2,11-13H2,1H3,(H,19,20);2-10H,1H3