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

Systemtic Name: butyl 6-chloranyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: butyl 6-chloro-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-chloro-5-[(4-ethynylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid butyl ester IUPAC Name: butyl 6-chloro-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-chloro-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid butyl ester Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3/c1-3-5-12-26-21(25)16-10-11-23-18(16)13-17(22)19(23)20(24)15-8-6-14(4-2)7-9-15/h2,6-9,13,16H,3,5,10-12H2,1H3