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

Systemtic Name: butyl 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C29H37F3N2O4 MolecularWeight: 534.61029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=C4CCOC(C4=C3)(C)C(F)(F)F)OC

Isomeric SMILES

CCCCOC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=C4CCOC(C4=C3)(C)C(F)(F)F)OC

InChI

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