tert-butyl 2-[4-[[(2-nitro-5-piperidin-1-yl-phenyl)-pentanoyl-amino]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[(2-nitro-5-piperidin-1-yl-phenyl)-pentanoyl-amino]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-nitro-N-pentanoyl-5-(1-piperidyl)anilino]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-nitro-N-(1-oxopentyl)-5-(1-piperidinyl)anilino]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-nitro-N-pentanoyl-5-piperidin-1-ylanilino)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-nitro-5-piperidino-N-valeryl-anilino)methyl]phenyl]benzoic acid tert-butyl ester Formula: C34H41N3O5 MolecularWeight: 571.70644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C3=C(C=CC(=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C3=C(C=CC(=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C34H41N3O5/c1-5-6-14-32(38)36(31-23-27(19-20-30(31)37(40)41)35-21-10-7-11-22-35)24-25-15-17-26(18-16-25)28-12-8-9-13-29(28)33(39)42-34(2,3)4/h8-9,12-13,15-20,23H,5-7,10-11,14,21-22,24H2,1-4H3