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

Systemtic Name: (2S,3S)-2-azanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-pentanamide Openeye Name: (2S,3S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-pentanamide CAS Name: (2S,3S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylpentanamide IUPAC Name: (2S,3S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylpentanamide Traditional Name: (2S,3S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-valeramide Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)OCCCO2)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCCCO2)N

InChI

InChI=1S/C15H22N2O3/c1-3-10(2)14(16)15(18)17-11-5-6-12-13(9-11)20-8-4-7-19-12/h5-6,9-10,14H,3-4,7-8,16H2,1-2H3,(H,17,18)/t10-,14-/m0/s1