methyl 1-[2,2-dimethylpropanoyloxy(phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl 1-[2,2-dimethylpropanoyloxy(phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl 1-[2,2-dimethylpropanoyloxy(phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 1-[(2,2-dimethyl-1-oxopropoxy)-phenylmethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-dimethylpropanoyloxy(phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 1-[phenyl(pivaloyloxy)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C23H27NO4 MolecularWeight: 381.46478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(C1C2=CC=CC=C2CC(N1)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OC(C1C2=CC=CC=C2CC(N1)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO4/c1-23(2,3)22(26)28-20(15-10-6-5-7-11-15)19-17-13-9-8-12-16(17)14-18(24-19)21(25)27-4/h5-13,18-20,24H,14H2,1-4H3