tert-butyl 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)isochroman-7-yl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-2-benzopyran-7-yl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)isochroman-7-yl]methylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C29H37F3N2O4 MolecularWeight: 534.61029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2CCO1)OC)CNC3CCCN(C3C4=CC=CC=C4)C(=O)OC(C)(C)C)C(F)(F)F

Isomeric SMILES

CC1(C2=CC(=C(C=C2CCO1)OC)CNC3CCCN(C3C4=CC=CC=C4)C(=O)OC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C29H37F3N2O4/c1-27(2,3)38-26(35)34-14-9-12-23(25(34)19-10-7-6-8-11-19)33-18-21-16-22-20(17-24(21)36-5)13-15-37-28(22,4)29(30,31)32/h6-8,10-11,16-17,23,25,33H,9,12-15,18H2,1-5H3