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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylic acid Formula: C19H17Cl2NO5 MolecularWeight: 410.24798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C(=O)O)C(N(CC2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1C(=O)O)C(N(CC2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2NO5/c1-27-17-8-11-4-5-22(19(25)26)16(12(11)9-13(17)18(23)24)7-10-2-3-14(20)15(21)6-10/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,23,24)(H,25,26)