4-[[3-(4-methoxypyrimidin-2-yl)-3-oxidanylidene-propanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[[3-(4-methoxypyrimidin-2-yl)-3-oxidanylidene-propanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid Openeye Name: 4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzoic acid CAS Name: 4-[[3-(4-methoxy-2-pyrimidinyl)-1,3-dioxopropyl]-(2-naphthalenylmethyl)amino]benzoic acid IUPAC Name: 4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid Traditional Name: 4-[[3-keto-3-(4-methoxypyrimidin-2-yl)propanoyl]-(2-naphthylmethyl)amino]benzoic acid Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H21N3O5/c1-34-23-12-13-27-25(28-23)22(30)15-24(31)29(21-10-8-19(9-11-21)26(32)33)16-17-6-7-18-4-2-3-5-20(18)14-17/h2-14H,15-16H2,1H3,(H,32,33)