tert-butyl 4-[[3-chloranyl-4-(2-methylpropoxy)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-chloranyl-4-(2-methylpropoxy)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-chloro-4-isobutoxy-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[3-chloro-4-(2-methylpropoxy)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-chloro-4-(2-methylpropoxy)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(3-chloro-4-isobutoxy-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31ClN2O4 MolecularWeight: 410.93484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C21H31ClN2O4/c1-14(2)13-27-18-7-6-16(12-17(18)22)23-19(25)15-8-10-24(11-9-15)20(26)28-21(3,4)5/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,23,25)