[2-[(2-butylquinolin-4-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[(2-butylquinolin-4-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(2-butyl-4-quinolyl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(2-butyl-4-quinolinyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(2-butylquinolin-4-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(2-butyl-4-quinolyl)methyl]-6-phenyl-phenyl] ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1)CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1)CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO3/c1-2-3-13-22-18-21(23-14-7-8-16-25(23)28-22)17-20-12-9-15-24(26(20)31-27(29)30)19-10-5-4-6-11-19/h4-12,14-16,18H,2-3,13,17H2,1H3,(H,29,30)