(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-prop-2-ynyl-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-prop-2-ynyl-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-prop-2-ynyl-pyrrolidine-3-carboxamide CAS Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-prop-2-ynyl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide Traditional Name: (3S)-1-homoveratryl-5-keto-N-propargyl-pyrrolidine-3-carboxamide Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCC#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C[C@H](CC2=O)C(=O)NCC#C)OC

InChI

InChI=1S/C18H22N2O4/c1-4-8-19-18(22)14-11-17(21)20(12-14)9-7-13-5-6-15(23-2)16(10-13)24-3/h1,5-6,10,14H,7-9,11-12H2,2-3H3,(H,19,22)/t14-/m0/s1