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

Systemtic Name: ethyl 4-[2-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzoic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC3=CC(=C(C=C3C2C)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC3=CC(=C(C=C3C2C)O)O

InChI

InChI=1S/C21H24N2O5/c1-3-28-21(27)14-4-6-16(7-5-14)22-20(26)12-23-9-8-15-10-18(24)19(25)11-17(15)13(23)2/h4-7,10-11,13,24-25H,3,8-9,12H2,1-2H3,(H,22,26)