(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)/C=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5/c1-19(27(32)29-15-7-8-16-29)35-25(31)14-12-21-18-30(22-9-5-4-6-10-22)28-26(21)20-11-13-23(33-2)24(17-20)34-3/h4-6,9-14,17-19H,7-8,15-16H2,1-3H3/b14-12+