3-[2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(1-naphthylamino)-2-oxo-ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(1-naphthalenylamino)-2-oxoethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(naphthalen-1-ylamino)-2-oxoethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-keto-2-(1-naphthylamino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C25H23N3O4/c29-24(27-22-8-3-6-19-5-1-2-7-21(19)22)17-32-23-15-18(16-28-14-4-13-26-28)9-10-20(23)11-12-25(30)31/h1-10,13-15H,11-12,16-17H2,(H,27,29)(H,30,31)