ethyl 4-[[(4-tert-butylphenyl)carbonyl-phenyl-amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)carbonyl-phenyl-amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(N-(4-tert-butylbenzoyl)anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(N-[(4-tert-butylphenyl)-oxomethyl]anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(N-(4-tert-butylbenzoyl)anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(N-(4-tert-butylbenzoyl)anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H32N2O3/c1-7-32-26(31)24-18(2)23(19(3)28-24)17-29(22-11-9-8-10-12-22)25(30)20-13-15-21(16-14-20)27(4,5)6/h8-16,28H,7,17H2,1-6H3