2-[ethyl-[(E)-4-(1-phenylmethoxycarbonylpiperidin-4-yl)but-3-enoyl]amino]ethanoic acid

Systemtic Name: 2-[ethyl-[(E)-4-(1-phenylmethoxycarbonylpiperidin-4-yl)but-3-enoyl]amino]ethanoic acid Openeye Name: 2-[[(E)-4-(1-benzyloxycarbonyl-4-piperidyl)but-3-enoyl]-ethyl-amino]acetic acid CAS Name: 2-[ethyl-[(E)-1-oxo-4-(1-phenylmethoxycarbonyl-4-piperidinyl)but-3-enyl]amino]acetic acid IUPAC Name: 2-[ethyl-[(E)-4-(1-phenylmethoxycarbonylpiperidin-4-yl)but-3-enoyl]amino]acetic acid Traditional Name: 2-[[(E)-4-(1-carbobenzoxy-4-piperidyl)but-3-enoyl]-ethyl-amino]acetic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C(=O)CC=CC1CCN(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCN(CC(=O)O)C(=O)C/C=C/C1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O5/c1-2-22(15-20(25)26)19(24)10-6-9-17-11-13-23(14-12-17)21(27)28-16-18-7-4-3-5-8-18/h3-9,17H,2,10-16H2,1H3,(H,25,26)/b9-6+