propyl 4-[[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid propyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C25H24N2O5/c1-2-13-32-25(30)17-9-11-20(12-10-17)26-23(28)21-15-18-6-3-4-7-19(18)16-27(21)24(29)22-8-5-14-31-22/h3-12,14,21H,2,13,15-16H2,1H3,(H,26,28)