4-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]-2-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]-2-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]-2-oxo-butanamide CAS Name: 4-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-oxobutanamide Traditional Name: N-benzyl-4-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]-2-keto-butyramide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=O)CCNCC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(=O)CCNCC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C21H23N3O4/c22-12-17-8-4-5-9-20(17)28-15-18(25)14-23-11-10-19(26)21(27)24-13-16-6-2-1-3-7-16/h1-9,18,23,25H,10-11,13-15H2,(H,24,27)