tert-butyl 3-[[3-(4-chlorophenyl)propanoyloxy-methyl-amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[3-(4-chlorophenyl)propanoyloxy-methyl-amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[3-(4-chlorophenyl)propanoyloxy-methyl-amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[3-(4-chlorophenyl)-1-oxopropoxy]-methylamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(4-chlorophenyl)propanoyloxy-methylamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[3-(4-chlorophenyl)propanoyloxy-methyl-amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CN(C)OC(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CN(C)OC(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H31ClN2O4/c1-25(2,3)31-24(30)28-16-20-8-6-5-7-19(20)15-22(28)17-27(4)32-23(29)14-11-18-9-12-21(26)13-10-18/h5-10,12-13,22H,11,14-17H2,1-4H3