naphthalen-1-ylmethyl 5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 1-naphthylmethyl 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 1-naphthylmethyl ester Formula: C21H17Cl2NO4 MolecularWeight: 418.26998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H17Cl2NO4/c22-17-15-8-9-24(10-16(15)18(23)20(26)19(17)25)21(27)28-11-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,25-26H,8-11H2