5-(3-ethoxycarbonylphenyl)carbonyl-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(3-ethoxycarbonylphenyl)carbonyl-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(3-ethoxycarbonylphenyl)-oxomethyl]-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(3-carbethoxybenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-3-12-11-16-15(19(23)24)8-9-21(16)17(12)18(22)13-6-5-7-14(10-13)20(25)26-4-2/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,23,24)