tert-butyl N-[4-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[(5-chloro-2-pyrrolidin-1-yl-phenyl)carbamoyl]phenyl]carbamate CAS Name: N-[4-[[5-chloro-2-(1-pyrrolidinyl)anilino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(5-chloro-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate Traditional Name: N-[4-[(5-chloro-2-pyrrolidino-phenyl)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3

InChI

InChI=1S/C22H26ClN3O3/c1-22(2,3)29-21(28)24-17-9-6-15(7-10-17)20(27)25-18-14-16(23)8-11-19(18)26-12-4-5-13-26/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,27)