2-diethylaminoethyl 4-azanyl-3-butoxy-benzoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 2-diethylaminoethyl 4-azanyl-3-butoxy-benzoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 2-diethylaminoethyl 4-amino-3-butoxy-benzoate; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 4-amino-3-butoxybenzoic acid 2-diethylaminoethyl ester; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 2-diethylaminoethyl 4-amino-3-butoxybenzoate; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 4-amino-3-butoxy-benzoic acid 2-diethylaminoethyl ester; (2S)-5-ketoproline Formula: C22H35N3O6 MolecularWeight: 437.5298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C17H28N2O3.C5H7NO3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;7-4-2-1-3(6-4)5(8)9/h8-9,13H,4-7,10-12,18H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1