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

Systemtic Name: 6-butyl-5-(4-ethenylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-butyl-5-(4-vinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-butyl-5-[(4-ethenylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-butyl-5-(4-ethenylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-butyl-5-(4-vinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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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/C21H23NO3/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/h4,7-10,13,17H,2-3,5-6,11-12H2,1H3,(H,24,25)