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

Systemtic Name: naphthalen-2-ylmethyl 5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 2-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 2-naphthalenylmethyl ester IUPAC Name: naphthalen-2-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 2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=O)OCC3=CC4=CC=CC=C4C=C3

InChI

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