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

Systemtic Name: 5-(4-ethynylphenyl)carbonyl-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-ethynylbenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-ethynylphenyl)-oxomethyl]-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-ethynylbenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(4-ethynylbenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCC1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C20H19NO3/c1-3-5-15-12-17-16(20(23)24)10-11-21(17)18(15)19(22)14-8-6-13(4-2)7-9-14/h2,6-9,12,16H,3,5,10-11H2,1H3,(H,23,24)