tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-oxidanyl-quinolin-8-yl-methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-oxidanyl-quinolin-8-yl-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-hydroxy-(8-quinolyl)methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[diethylamino(oxo)methyl]phenyl]-hydroxy-(8-quinolinyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-hydroxy-quinolin-8-ylmethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]-hydroxy-(8-quinolyl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2CCN(CC2)C(=O)OC(C)(C)C)(C3=CC=CC4=C3N=CC=C4)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2CCN(CC2)C(=O)OC(C)(C)C)(C3=CC=CC4=C3N=CC=C4)O

InChI

InChI=1S/C31H39N3O4/c1-6-33(7-2)28(35)23-13-15-24(16-14-23)31(37,26-12-8-10-22-11-9-19-32-27(22)26)25-17-20-34(21-18-25)29(36)38-30(3,4)5/h8-16,19,25,37H,6-7,17-18,20-21H2,1-5H3