[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[[(1S)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC(C)C1=CC2=CC=CC=C2O1

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)CCC(C)C

InChI

InChI=1S/C18H23NO4/c1-12(2)8-9-18(21)22-11-17(20)19-13(3)16-10-14-6-4-5-7-15(14)23-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,20)/t13-/m0/s1