2-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]piperidin-1-yl]ethyl 4-methoxybenzoate

Systemtic Name: 2-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]piperidin-1-yl]ethyl 4-methoxybenzoate Openeye Name: 2-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-1-piperidyl]ethyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]piperidin-1-yl]ethyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 2-[4-[1H-benzimidazol-2-yl-(4-fluorobenzyl)amino]piperidino]ethyl ester Formula: C29H31FN4O3 MolecularWeight: 502.579843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCN2CCC(CC2)N(CC3=CC=C(C=C3)F)C4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCN2CCC(CC2)N(CC3=CC=C(C=C3)F)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C29H31FN4O3/c1-36-25-12-8-22(9-13-25)28(35)37-19-18-33-16-14-24(15-17-33)34(20-21-6-10-23(30)11-7-21)29-31-26-4-2-3-5-27(26)32-29/h2-13,24H,14-20H2,1H3,(H,31,32)