2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]-1-butanoyl-3,3-dimethyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]-1-butanoyl-3,3-dimethyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-[(4-amino-3-chloro-benzoyl)amino]-1-butanoyl-3,3-dimethyl-pyrrolidine-2-carboxylic acid CAS Name: 2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-(1-oxobutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-[(4-amino-3-chlorobenzoyl)amino]-1-butanoyl-3,3-dimethylpyrrolidine-2-carboxylic acid Traditional Name: 2-[(4-amino-3-chloro-benzoyl)amino]-1-butyryl-3,3-dimethyl-proline Formula: C18H24ClN3O4 MolecularWeight: 381.85386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(C1(C(=O)O)NC(=O)C2=CC(=C(C=C2)N)Cl)(C)C

Isomeric SMILES

CCCC(=O)N1CCC(C1(C(=O)O)NC(=O)C2=CC(=C(C=C2)N)Cl)(C)C

InChI

InChI=1S/C18H24ClN3O4/c1-4-5-14(23)22-9-8-17(2,3)18(22,16(25)26)21-15(24)11-6-7-13(20)12(19)10-11/h6-7,10H,4-5,8-9,20H2,1-3H3,(H,21,24)(H,25,26)