[aminocarbonyl-[4-[5-[(4-fluorophenyl)methyl]furan-2-yl]but-3-yn-2-yl]amino] 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: [aminocarbonyl-[4-[5-[(4-fluorophenyl)methyl]furan-2-yl]but-3-yn-2-yl]amino] 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [carbamoyl-[3-[5-[(4-fluorophenyl)methyl]-2-furyl]-1-methyl-prop-2-ynyl]amino] 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid [carbamoyl-[4-[5-[(4-fluorophenyl)methyl]-2-furanyl]but-3-yn-2-yl]amino] ester IUPAC Name: [carbamoyl-[4-[5-[(4-fluorophenyl)methyl]furan-2-yl]but-3-yn-2-yl]amino] 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid [carbamoyl-[3-[5-(4-fluorobenzyl)-2-furyl]-1-methyl-prop-2-ynyl]amino] ester Formula: C29H31FN2O4 MolecularWeight: 490.565843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)ON(C(C)C#CC2=CC=C(O2)CC3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)ON(C(C)C#CC2=CC=C(O2)CC3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C29H31FN2O4/c1-19(2)17-22-6-10-24(11-7-22)21(4)28(33)36-32(29(31)34)20(3)5-14-26-15-16-27(35-26)18-23-8-12-25(30)13-9-23/h6-13,15-16,19-21H,17-18H2,1-4H3,(H2,31,34)