3-phenylpropyl 2,5-bis(oxidanylidene)-3-prop-2-ynyl-pyrrolidine-3-carboxylate

Systemtic Name: 3-phenylpropyl 2,5-bis(oxidanylidene)-3-prop-2-ynyl-pyrrolidine-3-carboxylate Openeye Name: 3-phenylpropyl 2,5-dioxo-3-prop-2-ynyl-pyrrolidine-3-carboxylate CAS Name: 2,5-dioxo-3-prop-2-ynyl-3-pyrrolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2,5-dioxo-3-prop-2-ynylpyrrolidine-3-carboxylate Traditional Name: 2,5-diketo-3-propargyl-pyrrolidine-3-carboxylic acid 3-phenylpropyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1(CC(=O)NC1=O)C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C#CCC1(CC(=O)NC1=O)C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO4/c1-2-10-17(12-14(19)18-15(17)20)16(21)22-11-6-9-13-7-4-3-5-8-13/h1,3-5,7-8H,6,9-12H2,(H,18,19,20)