[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-pentoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-pentoxybenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C17H21NO4/c1-3-5-6-12-21-15-9-7-14(8-10-15)17(20)22-13-16(19)18-11-4-2/h2,7-10H,3,5-6,11-13H2,1H3,(H,18,19)