[3-(3-imidazol-1-ylphenyl)-2-(3-oxidanylidenepropanoylamino)-4-(6-phenylmethoxypyridin-3-yl)phenyl]carbamic acid

Systemtic Name: [3-(3-imidazol-1-ylphenyl)-2-(3-oxidanylidenepropanoylamino)-4-(6-phenylmethoxypyridin-3-yl)phenyl]carbamic acid Openeye Name: [4-(6-benzyloxy-3-pyridyl)-3-(3-imidazol-1-ylphenyl)-2-(3-oxopropanoylamino)phenyl]carbamic acid CAS Name: [2-(1,3-dioxopropylamino)-3-[3-(1-imidazolyl)phenyl]-4-(6-phenylmethoxy-3-pyridinyl)phenyl]carbamic acid IUPAC Name: [3-(3-imidazol-1-ylphenyl)-2-(3-oxopropanoylamino)-4-(6-phenylmethoxypyridin-3-yl)phenyl]carbamic acid Traditional Name: [4-(6-benzoxy-3-pyridyl)-3-(3-imidazol-1-ylphenyl)-2-(3-ketopropanoylamino)phenyl]carbamic acid Formula: C31H25N5O5 MolecularWeight: 547.5607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=C(C=C2)C3=C(C(=C(C=C3)NC(=O)O)NC(=O)CC=O)C4=CC(=CC=C4)N5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=C(C=C2)C3=C(C(=C(C=C3)NC(=O)O)NC(=O)CC=O)C4=CC(=CC=C4)N5C=CN=C5

InChI

InChI=1S/C31H25N5O5/c37-16-13-27(38)35-30-26(34-31(39)40)11-10-25(29(30)22-7-4-8-24(17-22)36-15-14-32-20-36)23-9-12-28(33-18-23)41-19-21-5-2-1-3-6-21/h1-12,14-18,20,34H,13,19H2,(H,35,38)(H,39,40)