butyl 4-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]benzoate CAS Name: 4-[[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]benzoic acid butyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C)C(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C)C(C)C)C

InChI

InChI=1S/C21H28N2O3/c1-6-7-12-26-21(25)17-8-10-18(11-9-17)22-20(24)19-13-15(4)23(14(2)3)16(19)5/h8-11,13-14H,6-7,12H2,1-5H3,(H,22,24)