tert-butyl 4-[[6-azanyl-2-methyl-3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-azanyl-2-methyl-3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-amino-2-methyl-3-(4-pyrrolidin-1-yl-1-piperidyl)anilino]piperidine-1-carboxylate CAS Name: 4-[6-amino-2-methyl-3-[4-(1-pyrrolidinyl)-1-piperidinyl]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-amino-2-methyl-3-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]piperidine-1-carboxylate Traditional Name: 4-[6-amino-2-methyl-3-(4-pyrrolidinopiperidino)anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H43N5O2 MolecularWeight: 457.65192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC2CCN(CC2)C(=O)OC(C)(C)C)N)N3CCC(CC3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1NC2CCN(CC2)C(=O)OC(C)(C)C)N)N3CCC(CC3)N4CCCC4

InChI

InChI=1S/C26H43N5O2/c1-19-23(30-17-11-21(12-18-30)29-13-5-6-14-29)8-7-22(27)24(19)28-20-9-15-31(16-10-20)25(32)33-26(2,3)4/h7-8,20-21,28H,5-6,9-18,27H2,1-4H3