[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-butoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-butoxybenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C17H19NO4/c1-2-3-11-21-14-8-6-13(7-9-14)17(20)22-12-16(19)15-5-4-10-18-15/h4-10,18H,2-3,11-12H2,1H3