tert-butyl 4-(5-aminocarbonyl-4-methyl-3-oxidanyl-2-quinolin-8-yl-phenyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-aminocarbonyl-4-methyl-3-oxidanyl-2-quinolin-8-yl-phenyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-carbamoyl-3-hydroxy-4-methyl-2-(8-quinolyl)phenyl]piperidine-1-carboxylate CAS Name: 4-[5-carbamoyl-3-hydroxy-4-methyl-2-(8-quinolinyl)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-carbamoyl-3-hydroxy-4-methyl-2-quinolin-8-ylphenyl)piperidine-1-carboxylate Traditional Name: 4-[5-carbamoyl-3-hydroxy-4-methyl-2-(8-quinolyl)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)N)C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC4=C3N=CC=C4)O

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)N)C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC4=C3N=CC=C4)O

InChI

InChI=1S/C27H31N3O4/c1-16-20(25(28)32)15-21(17-10-13-30(14-11-17)26(33)34-27(2,3)4)22(24(16)31)19-9-5-7-18-8-6-12-29-23(18)19/h5-9,12,15,17,31H,10-11,13-14H2,1-4H3,(H2,28,32)