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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclopentylamino)-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-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 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-(cyclopentylamino)-2-keto-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c31-25(28-21-9-5-6-10-21)18-33-26(32)15-14-20-17-30(22-11-2-1-3-12-22)29-27(20)24-16-19-8-4-7-13-23(19)34-24/h1-4,7-8,11-17,21H,5-6,9-10,18H2,(H,28,31)