2-(phenylmethoxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(phenylmethoxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(benzyloxymethyl)-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-[[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]methyl]-3-phenylmethoxypropanoic acid IUPAC Name: 2-(phenylmethoxymethyl)-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(benzoxymethyl)-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2CCNCC2)C(=O)NCC(COCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2CCNCC2)C(=O)NCC(COCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H35N3O5/c29-23(9-8-19-10-12-26-13-11-19)28-14-4-7-21(16-28)24(30)27-15-22(25(31)32)18-33-17-20-5-2-1-3-6-20/h1-3,5-6,8-9,19,21-22,26H,4,7,10-18H2,(H,27,30)(H,31,32)/b9-8+