tert-butyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[3-carbomethoxy-5-(3-cyanophenyl)benzyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C27H33N3O4/c1-27(2,3)34-26(32)30-10-8-19(9-11-30)17-29-18-21-13-23(15-24(14-21)25(31)33-4)22-7-5-6-20(12-22)16-28/h5-7,12-15,19,29H,8-11,17-18H2,1-4H3