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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C18H17Cl2NO4 MolecularWeight: 382.23788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C18H17Cl2NO4/c1-25-17-8-11-4-5-21(18(23)24)15(12(11)9-16(17)22)7-10-2-3-13(19)14(20)6-10/h2-3,6,8-9,15,22H,4-5,7H2,1H3,(H,23,24)