tert-butyl N-[1-[2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)phenoxy]ethoxy]phenyl]propanoyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)phenoxy]ethoxy]phenyl]propanoyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(aminomethyl)-3-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]propanoyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[2-(aminomethyl)-3-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]-1-oxopropyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(aminomethyl)-3-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]propanoyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[2-(aminomethyl)-3-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]propanoyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C27H35Cl2N3O5 MolecularWeight: 552.4899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C(=O)C(CC2=CC=C(C=C2)OCCOC3=C(C=CC=C3Cl)Cl)CN

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C(=O)C(CC2=CC=C(C=C2)OCCOC3=C(C=CC=C3Cl)Cl)CN

InChI

InChI=1S/C27H35Cl2N3O5/c1-27(2,3)37-26(34)31-20-11-12-32(17-20)25(33)19(16-30)15-18-7-9-21(10-8-18)35-13-14-36-24-22(28)5-4-6-23(24)29/h4-10,19-20H,11-17,30H2,1-3H3,(H,31,34)