methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)-3-phenyl-propionic acid methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO5/c1-24-20(23)16(12-14-6-3-2-4-7-14)21-19(22)15-8-9-17-18(13-15)26-11-5-10-25-17/h2-4,6-9,13,16H,5,10-12H2,1H3,(H,21,22)/t16-/m0/s1