methyl (2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-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)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2=CC3=C(C=C2)OCCO3

InChI

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