ethyl 2-[[4-[2-(2-nitrophenoxy)ethanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[2-(2-nitrophenoxy)ethanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[[2-(2-nitrophenoxy)acetyl]amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[2-(2-nitrophenoxy)acetyl]amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[2-(2-nitrophenoxy)acetyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O7/c1-2-35-23(31)19(16-18-8-4-3-5-9-18)27-24(32)25(12-14-26-15-13-25)28-22(30)17-36-21-11-7-6-10-20(21)29(33)34/h3-11,19,26H,2,12-17H2,1H3,(H,27,32)(H,28,30)