[2-(hexylamino)-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChI

InChI=1S/C19H24N2O3/c1-2-3-4-5-12-20-18(22)15-24-19(23)16-8-10-17(11-9-16)21-13-6-7-14-21/h6-11,13-14H,2-5,12,15H2,1H3,(H,20,22)