N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-oxidanylidene-4-(4-propoxyphenyl)butanamide

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-oxidanylidene-4-(4-propoxyphenyl)butanamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-oxo-4-(4-propoxyphenyl)butanamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-oxo-4-(4-propoxyphenyl)butanamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-oxo-4-(4-propoxyphenyl)butanamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-keto-4-(4-propoxyphenyl)butyramide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C27H27N3O3/c1-2-16-33-22-11-8-19(9-12-22)25(31)14-15-26(32)30-27(20-6-4-3-5-7-20)21-10-13-23-24(17-21)29-18-28-23/h3-13,17-18,27H,2,14-16H2,1H3,(H,28,29)(H,30,32)