methyl 2-[[1-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(2-methoxy-2-oxo-ethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 2-[[[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 2-[[1-(2-keto-2-methoxy-ethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C2=CC=CC=C2CCN1C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC(=O)CC1C2=CC=CC=C2CCN1C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H22N2O5/c1-27-19(24)13-18-15-8-4-3-7-14(15)11-12-23(18)21(26)22-17-10-6-5-9-16(17)20(25)28-2/h3-10,18H,11-13H2,1-2H3,(H,22,26)