1-[5-nitro-2-[[4-[(phenylmethyl)carbamoyl]phenyl]amino]pyrimidin-4-yl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-2-[[4-[(phenylmethyl)carbamoyl]phenyl]amino]pyrimidin-4-yl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-(benzylcarbamoyl)anilino]-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-2-[4-[oxo-[(phenylmethyl)amino]methyl]anilino]-4-pyrimidinyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(benzylcarbamoyl)anilino]-5-nitropyrimidin-4-yl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-[4-(benzylcarbamoyl)anilino]-5-nitro-pyrimidin-4-yl]-4-phenyl-isonipecotic acid Formula: C30H28N6O5 MolecularWeight: 552.58052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H28N6O5/c37-27(31-19-21-7-3-1-4-8-21)22-11-13-24(14-12-22)33-29-32-20-25(36(40)41)26(34-29)35-17-15-30(16-18-35,28(38)39)23-9-5-2-6-10-23/h1-14,20H,15-19H2,(H,31,37)(H,38,39)(H,32,33,34)