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

Systemtic Name: [2-[[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[[2-(ethoxycarbonylamino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[[2-(carbethoxyamino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(=O)OCC)C(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

Isomeric SMILES

CCN(CC(=O)NC(=O)OCC)C(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChI

InChI=1S/C20H23N3O6/c1-3-22(13-17(24)21-20(27)28-4-2)18(25)14-29-19(26)15-7-9-16(10-8-15)23-11-5-6-12-23/h5-12H,3-4,13-14H2,1-2H3,(H,21,24,27)