ethyl 5-[3-[(2-ethyl-6-methyl-phenyl)amino]-3-oxidanylidene-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3-[(2-ethyl-6-methyl-phenyl)amino]-3-oxidanylidene-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-(2-ethyl-6-methyl-anilino)-3-oxo-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(2-ethyl-6-methyl-anilino)-3-keto-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCC2=C(C(=C(N2)C)C(=O)OCC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCC2=C(C(=C(N2)C)C(=O)OCC)C)C

InChI

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