1-[(3,4-dichlorophenyl)methyl]-7-(dimethylcarbamoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-7-(dimethylcarbamoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-7-(dimethylcarbamoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-7-[dimethylamino(oxo)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-7-(dimethylcarbamoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-7-(dimethylcarbamoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C21H22Cl2N2O4 MolecularWeight: 437.31638

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC2=C(CCN(C2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C=C1OC

Isomeric SMILES

CN(C)C(=O)C1=CC2=C(CCN(C2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C=C1OC

InChI

InChI=1S/C21H22Cl2N2O4/c1-24(2)20(26)15-11-14-13(10-19(15)29-3)6-7-25(21(27)28)18(14)9-12-4-5-16(22)17(23)8-12/h4-5,8,10-11,18H,6-7,9H2,1-3H3,(H,27,28)