[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylcarbonylamino)benzoate Openeye Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-(furan-2-carbonylamino)benzoate CAS Name: 4-[[2-furanyl(oxo)methyl]amino]benzoic acid [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate Traditional Name: 4-(2-furoylamino)benzoic acid [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C24H22N2O5/c1-16(23(28)26-13-12-17-5-2-3-6-19(17)15-26)31-24(29)18-8-10-20(11-9-18)25-22(27)21-7-4-14-30-21/h2-11,14,16H,12-13,15H2,1H3,(H,25,27)/t16-/m0/s1