9H-fluoren-9-ylmethyl 3-methanoyl-1-[3-methyl-2-(methylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 3-methanoyl-1-[3-methyl-2-(methylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 3-formyl-1-[3-methyl-2-(methylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-formyl-1-[3-methyl-2-(methylamino)-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 3-formyl-1-[3-methyl-2-(methylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-formyl-1-[3-methyl-2-(methylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=O)NC

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=O)NC

InChI

InChI=1S/C31H32N2O4/c1-19(2)28(32-3)30(35)29-22-11-5-4-10-20(22)16-21(17-34)33(29)31(36)37-18-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h4-15,17,19,21,27-29,32H,16,18H2,1-3H3