9H-fluoren-9-ylmethyl 1-[(4-azanyl-3-iodanyl-phenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 1-[(4-azanyl-3-iodanyl-phenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 1-[(4-amino-3-iodo-phenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-amino-3-iodophenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 1-[(4-amino-3-iodophenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-amino-3-iodo-benzyl)-6,7-dicarbethoxyoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C37H35IN2O8 MolecularWeight: 762.58687

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=C2C(N(CCC2=C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC6=CC(=C(C=C6)N)I)OC(=O)OCC

Isomeric SMILES

CCOC(=O)OC1=C(C=C2C(N(CCC2=C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC6=CC(=C(C=C6)N)I)OC(=O)OCC

InChI

InChI=1S/C37H35IN2O8/c1-3-44-36(42)47-33-19-23-15-16-40(35(41)46-21-29-26-11-7-5-9-24(26)25-10-6-8-12-27(25)29)32(18-22-13-14-31(39)30(38)17-22)28(23)20-34(33)48-37(43)45-4-2/h5-14,17,19-20,29,32H,3-4,15-16,18,21,39H2,1-2H3