1-(3-ethanoylphenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea; 3-phenylpropanoic acid

Systemtic Name: 1-(3-ethanoylphenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea; 3-phenylpropanoic acid Openeye Name: 1-(3-acetylphenyl)-3-[3-[1-(1-methylbutyl)-4-piperidyl]benzofuran-5-yl]urea; 3-phenylpropanoic acid CAS Name: 1-(3-acetylphenyl)-3-[3-(1-pentan-2-yl-4-piperidinyl)-5-benzofuranyl]urea; 3-phenylpropanoic acid IUPAC Name: 1-(3-acetylphenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea; 3-phenylpropanoic acid Traditional Name: 1-(3-acetylphenyl)-3-[3-[1-(1-methylbutyl)-4-piperidyl]benzofuran-5-yl]urea; hydrocinnamic acid Formula: C36H43N3O5 MolecularWeight: 597.74372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCC(CC1)C2=COC3=C2C=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)C.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCCC(C)N1CCC(CC1)C2=COC3=C2C=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)C.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C27H33N3O3.C9H10O2/c1-4-6-18(2)30-13-11-20(12-14-30)25-17-33-26-10-9-23(16-24(25)26)29-27(32)28-22-8-5-7-21(15-22)19(3)31;10-9(11)7-6-8-4-2-1-3-5-8/h5,7-10,15-18,20H,4,6,11-14H2,1-3H3,(H2,28,29,32);1-5H,6-7H2,(H,10,11)