(2-pyrrol-1-ylphenyl) 4-methylbenzoate

Systemtic Name: (2-pyrrol-1-ylphenyl) 4-methylbenzoate Openeye Name: (2-pyrrol-1-ylphenyl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(1-pyrrolyl)phenyl] ester IUPAC Name: (2-pyrrol-1-ylphenyl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2-pyrrol-1-ylphenyl) ester Formula: C18H15NO2 MolecularWeight: 277.3172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C18H15NO2/c1-14-8-10-15(11-9-14)18(20)21-17-7-3-2-6-16(17)19-12-4-5-13-19/h2-13H,1H3