ethyl 2-[[4-[3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[3-(3-bromo-4-fluoro-phenyl)prop-2-enoylamino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[3-(3-bromo-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(3-bromo-4-fluorophenyl)prop-2-enoylamino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[3-(3-bromo-4-fluoro-phenyl)acryloyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C26H29BrFN3O4 MolecularWeight: 546.428563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C=CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C=CC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C26H29BrFN3O4/c1-2-35-24(33)22(17-18-6-4-3-5-7-18)30-25(34)26(12-14-29-15-13-26)31-23(32)11-9-19-8-10-21(28)20(27)16-19/h3-11,16,22,29H,2,12-15,17H2,1H3,(H,30,34)(H,31,32)