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

Systemtic Name: propan-2-yl 3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-2-phenyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-phenyl-benzofuran-5-carboxylate CAS Name: 3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-2-phenyl-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-phenyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-phenyl-benzofuran-5-carboxylic acid isopropyl ester Formula: C36H43NO4 MolecularWeight: 553.73092

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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)C4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)C(=O)OC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C36H43NO4/c1-5-7-22-37(23-8-6-2)24-12-13-27-16-18-28(19-17-27)34(38)33-31-25-30(36(39)40-26(3)4)20-21-32(31)41-35(33)29-14-10-9-11-15-29/h9-11,14-21,25-26H,5-8,12-13,22-24H2,1-4H3