methyl 5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-ethynylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=C(C=C3)C#C

Isomeric SMILES

COC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C18H15NO3/c1-3-12-4-6-13(7-5-12)17(20)16-9-8-15-14(18(21)22-2)10-11-19(15)16/h1,4-9,14H,10-11H2,2H3