1-[(3,4-dichlorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid Formula: C18H17Cl2NO3 MolecularWeight: 366.23848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C(=O)O)C(NCC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1C(=O)O)C(NCC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO3/c1-24-17-8-11-4-5-21-16(12(11)9-13(17)18(22)23)7-10-2-3-14(19)15(20)6-10/h2-3,6,8-9,16,21H,4-5,7H2,1H3,(H,22,23)