2-bromoethyl 2-[4-azanyl-2-(3-oxidanylpyrrolidin-1-yl)carbonyl-phenyl]-2-(3-oxidanylpyrrolidin-1-yl)ethanoate

Systemtic Name: 2-bromoethyl 2-[4-azanyl-2-(3-oxidanylpyrrolidin-1-yl)carbonyl-phenyl]-2-(3-oxidanylpyrrolidin-1-yl)ethanoate Openeye Name: 2-bromoethyl 2-[4-amino-2-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-2-(3-hydroxypyrrolidin-1-yl)acetate CAS Name: 2-[4-amino-2-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]phenyl]-2-(3-hydroxy-1-pyrrolidinyl)acetic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 2-[4-amino-2-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-2-(3-hydroxypyrrolidin-1-yl)acetate Traditional Name: 2-[4-amino-2-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-2-(3-hydroxypyrrolidino)acetic acid 2-bromoethyl ester Formula: C19H26BrN3O5 MolecularWeight: 456.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C(C2=C(C=C(C=C2)N)C(=O)N3CCC(C3)O)C(=O)OCCBr

Isomeric SMILES

C1CN(CC1O)C(C2=C(C=C(C=C2)N)C(=O)N3CCC(C3)O)C(=O)OCCBr

InChI

InChI=1S/C19H26BrN3O5/c20-5-8-28-19(27)17(22-6-3-13(24)10-22)15-2-1-12(21)9-16(15)18(26)23-7-4-14(25)11-23/h1-2,9,13-14,17,24-25H,3-8,10-11,21H2