butyl 5-(4-ethynylphenyl)carbonyl-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: butyl 5-(4-ethynylphenyl)carbonyl-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: butyl 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-ethynylphenyl)-oxomethyl]-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid butyl ester IUPAC Name: butyl 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid butyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-4-6-13-26-22(25)18-11-12-23-19(18)14-15(3)20(23)21(24)17-9-7-16(5-2)8-10-17/h2,7-10,14,18H,4,6,11-13H2,1,3H3