[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-14(2)8-9-19-17(21)13-23-18(22)15-6-5-7-16(12-15)20-10-3-4-11-20/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,19,21)