2-dimethylaminoethyl 4-(butylamino)benzoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 4-(butylamino)benzoic acid 2-dimethylaminoethyl ester; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 4-(butylamino)benzoic acid 2-dimethylaminoethyl ester; (2S)-5-ketoproline Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C15H24N2O2.C5H7NO3/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;7-4-2-1-3(6-4)5(8)9/h6-9,16H,4-5,10-12H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1