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

Systemtic Name: 7-cyano-1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-cyano-1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-cyano-1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-cyano-1-[(3,4-dichlorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-cyano-1-(3,4-dichlorobenzyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C19H16Cl2N2O3 MolecularWeight: 391.24794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Cl2N2O3/c1-26-18-9-12-4-5-23(19(24)25)17(14(12)8-13(18)10-22)7-11-2-3-15(20)16(21)6-11/h2-3,6,8-9,17H,4-5,7H2,1H3,(H,24,25)