methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-6-methyl-1-benzofuran-5-carboxylate hydrochloride

Systemtic Name: methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-6-methyl-1-benzofuran-5-carboxylate hydrochloride Openeye Name: methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-benzofuran-5-carboxylate hydrochloride CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-6-methyl-5-benzofurancarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-1-benzofuran-5-carboxylate hydrochloride Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-benzofuran-5-carboxylic acid methyl ester hydrochloride Formula: C33H46ClNO4 MolecularWeight: 556.17564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC(=C(C=C2O1)C)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.Cl

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C=C2O1)C)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.Cl

InChI

InChI=1S/C33H45NO4.ClH/c1-6-9-14-29-31(28-23-27(33(36)37-5)24(4)22-30(28)38-29)32(35)26-17-15-25(16-18-26)13-12-21-34(19-10-7-2)20-11-8-3;/h15-18,22-23H,6-14,19-21H2,1-5H3;1H