tert-butyl 1-[(3-methyl-5-nitro-2-phenylmethoxycarbonyl-phenyl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[(3-methyl-5-nitro-2-phenylmethoxycarbonyl-phenyl)carbamoyl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[(2-benzyloxycarbonyl-3-methyl-5-nitro-phenyl)carbamoyl]piperidine-4-carboxylate CAS Name: 1-[(3-methyl-5-nitro-2-phenylmethoxycarbonylanilino)-oxomethyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(3-methyl-5-nitro-2-phenylmethoxycarbonylphenyl)carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[(2-carbobenzoxy-3-methyl-5-nitro-phenyl)carbamoyl]isonipecotic acid tert-butyl ester Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)NC(=O)N3CCC(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)NC(=O)N3CCC(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O7/c1-17-14-20(29(33)34)15-21(22(17)24(31)35-16-18-8-6-5-7-9-18)27-25(32)28-12-10-19(11-13-28)23(30)36-26(2,3)4/h5-9,14-15,19H,10-13,16H2,1-4H3,(H,27,32)