tert-butyl 2-methyl-5-phenylazanyl-4-pyrrolidin-1-yl-benzoate

Systemtic Name: tert-butyl 2-methyl-5-phenylazanyl-4-pyrrolidin-1-yl-benzoate Openeye Name: tert-butyl 5-anilino-2-methyl-4-pyrrolidin-1-yl-benzoate CAS Name: 5-anilino-2-methyl-4-(1-pyrrolidinyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-anilino-2-methyl-4-pyrrolidin-1-ylbenzoate Traditional Name: 5-anilino-2-methyl-4-pyrrolidino-benzoic acid tert-butyl ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC(C)(C)C)NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC(C)(C)C)NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C22H28N2O2/c1-16-14-20(24-12-8-9-13-24)19(23-17-10-6-5-7-11-17)15-18(16)21(25)26-22(2,3)4/h5-7,10-11,14-15,23H,8-9,12-13H2,1-4H3