tert-butyl 4-[(4-aminocarbonylphenyl)methyl-cyclopropyl-carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-aminocarbonylphenyl)methyl-cyclopropyl-carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-carbamoylphenyl)methyl-cyclopropyl-carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(4-carbamoylphenyl)methyl-cyclopropylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-carbamoylbenzyl)-cyclopropyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)C(=O)N)C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)C(=O)N)C3CC3

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-21(28)24-12-10-17(11-13-24)20(27)25(18-8-9-18)14-15-4-6-16(7-5-15)19(23)26/h4-7,17-18H,8-14H2,1-3H3,(H2,23,26)