[1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylamino] benzoate

Systemtic Name: [1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylamino] benzoate Openeye Name: [1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylamino] benzoate CAS Name: benzoic acid [1-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]ethylamino] ester IUPAC Name: [1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylamino] benzoate Traditional Name: benzoic acid [1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylamino] ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(C)NOC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(C)NOC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2/c1-15-9-10-16(2)23(15)20-13-11-18(12-14-20)17(3)22-25-21(24)19-7-5-4-6-8-19/h4-14,17,22H,1-3H3