[2-[(3-butyl-7-methanoyl-4-oxidanylidene-quinolin-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[(3-butyl-7-methanoyl-4-oxidanylidene-quinolin-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(3-butyl-7-formyl-4-oxo-1-quinolyl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(3-butyl-7-formyl-4-oxo-1-quinolinyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(3-butyl-7-formyl-4-oxoquinolin-1-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(3-butyl-7-formyl-4-keto-1-quinolyl)methyl]-6-phenyl-phenyl] ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)C=O)CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)C=O)CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO5/c1-2-3-8-21-16-29(25-15-19(18-30)13-14-24(25)26(21)31)17-22-11-7-12-23(27(22)34-28(32)33)20-9-5-4-6-10-20/h4-7,9-16,18H,2-3,8,17H2,1H3,(H,32,33)