methyl 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-nitro-4-piperidino-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-30-22(27)18(14-16-8-4-2-5-9-16)23-21(26)17-10-11-19(20(15-17)25(28)29)24-12-6-3-7-13-24/h2,4-5,8-11,15,18H,3,6-7,12-14H2,1H3,(H,23,26)