tert-butyl 2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: tert-butyl 2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: tert-butyl 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid tert-butyl ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H27ClN2O3/c1-16-17(2)28(15-18-10-7-6-8-11-18)22(21(16)24(30)31-25(3,4)5)27-23(29)19-12-9-13-20(26)14-19/h6-14H,15H2,1-5H3,(H,27,29)