3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrrol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrrol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-(pyrrol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)ethoxy]-4-(1-pyrrolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrrol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-(pyrrol-1-ylmethyl)phenyl]propionic acid Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=C4)CCC(=O)O

InChI

InChI=1S/C26H25NO3/c28-26(29)12-11-23-10-8-21(19-27-14-3-4-15-27)18-25(23)30-16-13-20-7-9-22-5-1-2-6-24(22)17-20/h1-10,14-15,17-18H,11-13,16,19H2,(H,28,29)