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

Systemtic Name: 2-chloranyl-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxidanylidene-propanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid Openeye Name: 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzoic acid CAS Name: 2-chloro-4-[[3-(4-methoxy-2-pyrimidinyl)-1,3-dioxopropyl]-(2-naphthalenylmethyl)amino]benzoic acid IUPAC Name: 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzoic acid Traditional Name: 2-chloro-4-[[3-keto-3-(4-methoxypyrimidin-2-yl)propanoyl]-(2-naphthylmethyl)amino]benzoic acid Formula: C26H20ClN3O5 MolecularWeight: 489.9071

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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)Cl

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)Cl

InChI

InChI=1S/C26H20ClN3O5/c1-35-23-10-11-28-25(29-23)22(31)14-24(32)30(19-8-9-20(26(33)34)21(27)13-19)15-16-6-7-17-4-2-3-5-18(17)12-16/h2-13H,14-15H2,1H3,(H,33,34)