ethyl 5-butyl-4-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-2-methyl-furan-3-carboxylate

Systemtic Name: ethyl 5-butyl-4-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-butyl-4-[4-[3-(dibutylamino)propyl]benzoyl]-2-methyl-furan-3-carboxylate CAS Name: 5-butyl-4-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-4-[4-[3-(dibutylamino)propyl]benzoyl]-2-methylfuran-3-carboxylate Traditional Name: 5-butyl-4-[4-[3-(dibutylamino)propyl]benzoyl]-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C30H45NO4 MolecularWeight: 483.6826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(O1)C)C(=O)OCC)C(=O)C2=CC=C(C=C2)CCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(O1)C)C(=O)OCC)C(=O)C2=CC=C(C=C2)CCCN(CCCC)CCCC

InChI

InChI=1S/C30H45NO4/c1-6-10-15-26-28(27(23(5)35-26)30(33)34-9-4)29(32)25-18-16-24(17-19-25)14-13-22-31(20-11-7-2)21-12-8-3/h16-19H,6-15,20-22H2,1-5H3