ethyl (2R)-1-(4-butylphenyl)-4-[(4-butylphenyl)amino]-2-methyl-5-oxidanylidene-pyrrole-2-carboxylate

Systemtic Name: ethyl (2R)-1-(4-butylphenyl)-4-[(4-butylphenyl)amino]-2-methyl-5-oxidanylidene-pyrrole-2-carboxylate Openeye Name: ethyl (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-methyl-5-oxo-pyrrole-2-carboxylate CAS Name: (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-methyl-5-oxo-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-2-methyl-5-oxopyrrole-2-carboxylate Traditional Name: (2R)-4-(4-butylanilino)-1-(4-butylphenyl)-5-keto-2-methyl-3-pyrroline-2-carboxylic acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)CCCC)(C)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C[C@](N(C2=O)C3=CC=C(C=C3)CCCC)(C)C(=O)OCC

InChI

InChI=1S/C28H36N2O3/c1-5-8-10-21-12-16-23(17-13-21)29-25-20-28(4,27(32)33-7-3)30(26(25)31)24-18-14-22(15-19-24)11-9-6-2/h12-20,29H,5-11H2,1-4H3/t28-/m1/s1