ethyl 1-butyl-4-(butylamino)-5-oxidanylidene-2-phenyl-2H-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-butyl-4-(butylamino)-5-oxidanylidene-2-phenyl-2H-pyrrole-3-carboxylate Openeye Name: ethyl 1-butyl-4-(butylamino)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate CAS Name: 1-butyl-4-(butylamino)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-(butylamino)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate Traditional Name: 1-butyl-4-(butylamino)-5-keto-2-phenyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(N(C1=O)CCCC)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCNC1=C(C(N(C1=O)CCCC)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H30N2O3/c1-4-7-14-22-18-17(21(25)26-6-3)19(16-12-10-9-11-13-16)23(20(18)24)15-8-5-2/h9-13,19,22H,4-8,14-15H2,1-3H3