tert-butyl 2-benzamido-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: tert-butyl 2-benzamido-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: tert-butyl 2-benzamido-1-benzyl-4,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2-benzamido-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzamido-1-benzyl-4,5-dimethylpyrrole-3-carboxylate Traditional Name: 2-benzamido-1-benzyl-4,5-dimethyl-pyrrole-3-carboxylic acid tert-butyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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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)CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-17-18(2)27(16-19-12-8-6-9-13-19)22(21(17)24(29)30-25(3,4)5)26-23(28)20-14-10-7-11-15-20/h6-15H,16H2,1-5H3,(H,26,28)