methyl (2S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C18H17NO5/c1-23-18(22)14(9-20)19-16(21)8-12-10-24-15-7-6-11-4-2-3-5-13(11)17(12)15/h2-7,10,14,20H,8-9H2,1H3,(H,19,21)/t14-/m0/s1