[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate

Systemtic Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-[[(1S)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)N[C@@H](C)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H21NO4/c1-13-7-6-9-17(14(13)2)21(24)25-12-20(23)22-15(3)19-11-16-8-4-5-10-18(16)26-19/h4-11,15H,12H2,1-3H3,(H,22,23)/t15-/m0/s1