ethyl 4-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 4-[[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 4-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC(C3=C(C=CC(=C3C2)OC)OC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2C[C@@H](C3=C(C=CC(=C3C2)OC)OC)O

InChI

InChI=1S/C21H24N2O6/c1-4-29-20(25)13-5-7-14(8-6-13)22-21(26)23-11-15-17(27-2)9-10-18(28-3)19(15)16(24)12-23/h5-10,16,24H,4,11-12H2,1-3H3,(H,22,26)/t16-/m0/s1