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

Systemtic Name: tert-butyl 3-[[3-(4-chlorophenyl)propanoyloxyamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[3-(4-chlorophenyl)propanoyloxyamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[3-(4-chlorophenyl)-1-oxopropoxy]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(4-chlorophenyl)propanoyloxyamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[3-(4-chlorophenyl)propanoyloxyamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CNOC(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CNOC(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN2O4/c1-24(2,3)30-23(29)27-16-19-7-5-4-6-18(19)14-21(27)15-26-31-22(28)13-10-17-8-11-20(25)12-9-17/h4-9,11-12,21,26H,10,13-16H2,1-3H3