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

Systemtic Name: 9H-fluoren-9-ylmethyl 1-[(4-aminophenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 1-[(4-aminophenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-aminophenyl)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-aminophenyl)methyl]-6,7-bis(ethoxycarbonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-aminobenzyl)-6,7-dicarbethoxyoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C37H36N2O8 MolecularWeight: 636.69034

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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)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)OC(=O)OCC

InChI

InChI=1S/C37H36N2O8/c1-3-43-36(41)46-33-20-24-17-18-39(35(40)45-22-31-28-11-7-5-9-26(28)27-10-6-8-12-29(27)31)32(19-23-13-15-25(38)16-14-23)30(24)21-34(33)47-37(42)44-4-2/h5-16,20-21,31-32H,3-4,17-19,22,38H2,1-2H3