1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[phenyl(2-pyridyl)methyl]pyrrolidine-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[phenyl(2-pyridinyl)methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide Traditional Name: 1-homoveratryl-5-keto-N-[phenyl(2-pyridyl)methyl]pyrrolidine-3-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)OC

InChI

InChI=1S/C27H29N3O4/c1-33-23-12-11-19(16-24(23)34-2)13-15-30-18-21(17-25(30)31)27(32)29-26(20-8-4-3-5-9-20)22-10-6-7-14-28-22/h3-12,14,16,21,26H,13,15,17-18H2,1-2H3,(H,29,32)