ethyl 4-[(4-chlorophenyl)methyl]-1-(3-ethynylphenyl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(3-ethynylphenyl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(3-ethynylbenzoyl)piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(3-ethynylphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(3-ethynylbenzoyl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(3-ethynylbenzoyl)isonipecotic acid ethyl ester Formula: C24H24ClNO3 MolecularWeight: 409.90526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC(=C2)C#C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC(=C2)C#C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H24ClNO3/c1-3-18-6-5-7-20(16-18)22(27)26-14-12-24(13-15-26,23(28)29-4-2)17-19-8-10-21(25)11-9-19/h1,5-11,16H,4,12-15,17H2,2H3