4-[(3,4-dichlorophenyl)carbamoylamino]-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)carbamoylamino]-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-[(3,4-dichlorophenyl)carbamoylamino]-5-oxo-1-pentyl-pyrrolidine-3-carboxylic acid CAS Name: 4-[[(3,4-dichloroanilino)-oxomethyl]amino]-5-oxo-1-pentyl-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[(3,4-dichlorophenyl)carbamoylamino]-5-oxo-1-pentylpyrrolidine-3-carboxylic acid Traditional Name: 1-amyl-4-[(3,4-dichlorophenyl)carbamoylamino]-5-keto-pyrrolidine-3-carboxylic acid Formula: C17H21Cl2N3O4 MolecularWeight: 402.27234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(C(C1=O)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCCN1CC(C(C1=O)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H21Cl2N3O4/c1-2-3-4-7-22-9-11(16(24)25)14(15(22)23)21-17(26)20-10-5-6-12(18)13(19)8-10/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,24,25)(H2,20,21,26)