2-(phenylmethoxycarbonylamino)pent-4-ynoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)pent-4-ynoic acid Openeye Name: 2-(benzyloxycarbonylamino)pent-4-ynoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-4-pentynoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)pent-4-ynoic acid Traditional Name: 2-(benzyloxycarbonylamino)pent-4-ynoic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C#CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H13NO4/c1-2-6-11(12(15)16)14-13(17)18-9-10-7-4-3-5-8-10/h1,3-5,7-8,11H,6,9H2,(H,14,17)(H,15,16)