[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C27H27N3O4 MolecularWeight: 457.52098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c1-3-9-19(2)28-25(31)18-33-26(32)15-14-21-17-30(22-11-5-4-6-12-22)29-27(21)24-16-20-10-7-8-13-23(20)34-24/h4-8,10-17,19H,3,9,18H2,1-2H3,(H,28,31)