methyl 4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(=O)NCC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(=O)NCC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H26N2O5/c1-27-19-10-17-8-9-24(13-18(17)11-20(19)28-2)14-21(25)23-12-15-4-6-16(7-5-15)22(26)29-3/h4-7,10-11H,8-9,12-14H2,1-3H3,(H,23,25)