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

Systemtic Name: tert-butyl 4-[[2-methyl-6-nitro-3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-methyl-6-nitro-3-(4-pyrrolidin-1-yl-1-piperidyl)anilino]piperidine-1-carboxylate CAS Name: 4-[2-methyl-6-nitro-3-[4-(1-pyrrolidinyl)-1-piperidinyl]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-methyl-6-nitro-3-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]piperidine-1-carboxylate Traditional Name: 4-[2-methyl-6-nitro-3-(4-pyrrolidinopiperidino)anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H41N5O4 MolecularWeight: 487.63484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-])N3CCC(CC3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1NC2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-])N3CCC(CC3)N4CCCC4

InChI

InChI=1S/C26H41N5O4/c1-19-22(29-17-11-21(12-18-29)28-13-5-6-14-28)7-8-23(31(33)34)24(19)27-20-9-15-30(16-10-20)25(32)35-26(2,3)4/h7-8,20-21,27H,5-6,9-18H2,1-4H3