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

Systemtic Name: ethyl 1-[4-[2-[(4-chloranylphenoxy)methyl]-4-methyl-benzimidazol-1-yl]-2-methyl-butyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]-2-methyl-butyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1-benzimidazolyl]-2-methylbutyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]-2-methylbutyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-[2-[(4-chlorophenoxy)methyl]-4-methyl-benzimidazol-1-yl]-2-methyl-butyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C34H40ClN3O3 MolecularWeight: 574.1527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(C)CCN2C3=CC=CC(=C3N=C2COC4=CC=C(C=C4)Cl)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(C)CCN2C3=CC=CC(=C3N=C2COC4=CC=C(C=C4)Cl)C)C5=CC=CC=C5

InChI

InChI=1S/C34H40ClN3O3/c1-4-40-33(39)34(27-10-6-5-7-11-27)18-21-37(22-19-34)23-25(2)17-20-38-30-12-8-9-26(3)32(30)36-31(38)24-41-29-15-13-28(35)14-16-29/h5-16,25H,4,17-24H2,1-3H3