propan-2-yl 3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-2-propyl-1-benzofuran-5-carboxylate

Systemtic Name: propan-2-yl 3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-2-propyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-propyl-benzofuran-5-carboxylate CAS Name: 3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-2-propyl-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-propyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-propyl-benzofuran-5-carboxylic acid isopropyl ester Formula: C33H45NO4 MolecularWeight: 519.7147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)C(=O)OC(C)C)CCC

Isomeric SMILES

CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)C(=O)OC(C)C)CCC

InChI

InChI=1S/C33H45NO4/c1-6-9-20-34(21-10-7-2)22-11-13-25-14-16-26(17-15-25)32(35)31-28-23-27(33(36)37-24(4)5)18-19-29(28)38-30(31)12-8-3/h14-19,23-24H,6-13,20-22H2,1-5H3