(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide

Systemtic Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide Openeye Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanamide IUPAC Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide Traditional Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-14(2)19(24-21(26)23-15-7-4-3-5-8-15)20(25)22-16-9-10-17-18(13-16)28-12-6-11-27-17/h3-5,7-10,13-14,19H,6,11-12H2,1-2H3,(H,22,25)(H2,23,24,26)/t19-/m0/s1