ethyl 1-[3-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-[2-[(4-chlorophenoxy)methyl]-4-methyl-1-benzimidazolyl]propyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]propyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C32H36ClN3O3 MolecularWeight: 546.09954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCN2C3=CC=CC(=C3N=C2COC4=CC=C(C=C4)Cl)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCN2C3=CC=CC(=C3N=C2COC4=CC=C(C=C4)Cl)C)C5=CC=CC=C5

InChI

InChI=1S/C32H36ClN3O3/c1-3-38-31(37)32(25-10-5-4-6-11-25)17-21-35(22-18-32)19-8-20-36-28-12-7-9-24(2)30(28)34-29(36)23-39-27-15-13-26(33)14-16-27/h4-7,9-16H,3,8,17-23H2,1-2H3