ethyl 1-[(2-bromophenyl)-(2,2-dimethylpropanoyloxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[(2-bromophenyl)-(2,2-dimethylpropanoyloxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[(2-bromophenyl)-(2,2-dimethylpropanoyloxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromophenyl)-(2,2-dimethyl-1-oxopropoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-bromophenyl)-(2,2-dimethylpropanoyloxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(2-bromophenyl)-pivaloyloxy-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C24H28BrNO4 MolecularWeight: 474.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1C(C3=CC=CC=C3Br)OC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1C(C3=CC=CC=C3Br)OC(=O)C(C)(C)C

InChI

InChI=1S/C24H28BrNO4/c1-5-29-23(28)26-15-14-16-10-6-7-11-17(16)20(26)21(30-22(27)24(2,3)4)18-12-8-9-13-19(18)25/h6-13,20-21H,5,14-15H2,1-4H3