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

Systemtic Name: 7-chloranyl-5-(3-ethoxycarbonylphenyl)carbonyl-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 7-chloro-5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 7-chloro-5-[(3-ethoxycarbonylphenyl)-oxomethyl]-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 7-chloro-5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(3-carbethoxybenzoyl)-7-chloro-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCC(C2=C1Cl)C(=O)O)C(=O)C3=CC(=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(N2CCC(C2=C1Cl)C(=O)O)C(=O)C3=CC(=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H20ClNO5/c1-3-13-15(21)16-14(19(24)25)8-9-22(16)17(13)18(23)11-6-5-7-12(10-11)20(26)27-4-2/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,24,25)