methyl (2S)-4-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]valeric acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C18H23NO4/c1-11(2)7-15(18(21)22-4)19-17(20)9-13-10-23-16-8-12(3)5-6-14(13)16/h5-6,8,10-11,15H,7,9H2,1-4H3,(H,19,20)/t15-/m0/s1