tert-butyl 4-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-[2-(3-carbomethoxyphenyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C27H30N2O5/c1-27(2,3)34-26(32)29-15-13-21(14-16-29)24(30)28-23-10-6-8-20(18-23)12-11-19-7-5-9-22(17-19)25(31)33-4/h5-10,17-18,21H,13-16H2,1-4H3,(H,28,30)