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

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-2-3-4-11-19-17(21)14-23-18(22)15-7-9-16(10-8-15)20-12-5-6-13-20/h5-10,12-13H,2-4,11,14H2,1H3,(H,19,21)