ethanedioic acid; N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(4-isobutoxyphenyl)-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]-4-piperidyl]acetamide; oxalic acid CAS Name: N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]-4-piperidinyl]-2-[4-(2-methylpropoxy)phenyl]acetamide; oxalic acid IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide; oxalic acid Traditional Name: N-(4-fluorobenzyl)-2-(4-isobutoxyphenyl)-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]-4-piperidyl]acetamide; oxalic acid Formula: C32H43FN2O8 MolecularWeight: 602.690823

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(O1)CCN2CCC(CC2)N(CC3=CC=C(C=C3)F)C(=O)CC4=CC=C(C=C4)OCC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H]1COC(O1)CCN2CCC(CC2)N(CC3=CC=C(C=C3)F)C(=O)CC4=CC=C(C=C4)OCC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H41FN2O4.C2H2O4/c1-22(2)20-35-28-10-6-24(7-11-28)18-29(34)33(19-25-4-8-26(31)9-5-25)27-12-15-32(16-13-27)17-14-30-36-21-23(3)37-30;3-1(4)2(5)6/h4-11,22-23,27,30H,12-21H2,1-3H3;(H,3,4)(H,5,6)/t23-,30?;/m0./s1