(3-azanyl-3-oxidanylidene-propyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (3-amino-3-oxo-propyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (3-amino-3-keto-propyl) ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCC(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCC(=O)N)C

InChI

InChI=1S/C16H18N2O3/c1-11-3-4-12(2)18(11)14-7-5-13(6-8-14)16(20)21-10-9-15(17)19/h3-8H,9-10H2,1-2H3,(H2,17,19)