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

Systemtic Name: ethyl 6-ethyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: ethyl 6-ethyl-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-ethyl-5-[(4-ethynylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-ethyl-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid ethyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCC(C2=C1)C(=O)OCC)C(=O)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCC1=C(N2CCC(C2=C1)C(=O)OCC)C(=O)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C21H21NO3/c1-4-14-7-9-16(10-8-14)20(23)19-15(5-2)13-18-17(11-12-22(18)19)21(24)25-6-3/h1,7-10,13,17H,5-6,11-12H2,2-3H3