tert-butyl 4-[[4-[methyl(propyl)carbamoyl]phenyl]-quinolin-8-yl-methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[methyl(propyl)carbamoyl]phenyl]-quinolin-8-yl-methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[methyl(propyl)carbamoyl]phenyl]-(8-quinolyl)methylene]piperidine-1-carboxylate CAS Name: 4-[[4-[[methyl(propyl)amino]-oxomethyl]phenyl]-(8-quinolinyl)methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[methyl(propyl)carbamoyl]phenyl]-quinolin-8-ylmethylidene]piperidine-1-carboxylate Traditional Name: 4-[[4-[methyl(propyl)carbamoyl]phenyl]-(8-quinolyl)methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O3/c1-6-19-33(5)29(35)25-14-12-22(13-15-25)27(26-11-7-9-24-10-8-18-32-28(24)26)23-16-20-34(21-17-23)30(36)37-31(2,3)4/h7-15,18H,6,16-17,19-21H2,1-5H3