[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O3/c22-18-5-3-4-16(14-18)10-11-23-20(25)15-27-21(26)17-6-8-19(9-7-17)24-12-1-2-13-24/h1-9,12-14H,10-11,15H2,(H,23,25)