3-(7-cyanonaphthalen-2-yl)-2-[4-[1-(phenylmethyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-(7-cyanonaphthalen-2-yl)-2-[4-[1-(phenylmethyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 2-[4-(1-benzylpyrrolidin-3-yl)oxyphenyl]-3-(7-cyano-2-naphthyl)propanoic acid CAS Name: 3-(7-cyano-2-naphthalenyl)-2-[4-[[1-(phenylmethyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 2-[4-(1-benzylpyrrolidin-3-yl)oxyphenyl]-3-(7-cyanonaphthalen-2-yl)propanoic acid Traditional Name: 2-[4-(1-benzylpyrrolidin-3-yl)oxyphenyl]-3-(7-cyano-2-naphthyl)propionic acid Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C#N)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C#N)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O3/c32-19-24-7-9-25-8-6-23(16-27(25)17-24)18-30(31(34)35)26-10-12-28(13-11-26)36-29-14-15-33(21-29)20-22-4-2-1-3-5-22/h1-13,16-17,29-30H,14-15,18,20-21H2,(H,34,35)