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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCCC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C21H21NO3/c1-3-5-6-16-13-18-17(21(24)25)11-12-22(18)19(16)20(23)15-9-7-14(4-2)8-10-15/h2,7-10,13,17H,3,5-6,11-12H2,1H3,(H,24,25)