methyl 5-tert-butyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-(1-naphthylcarbamoylamino)-1H-pyrrole-2-carboxylate CAS Name: 5-tert-butyl-3-[[(1-naphthalenylamino)-oxomethyl]amino]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-(naphthalen-1-ylcarbamoylamino)-1H-pyrrole-2-carboxylate Traditional Name: 5-tert-butyl-3-(1-naphthylcarbamoylamino)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N1)C(=O)OC)NC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1)C(=O)OC)NC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O3/c1-21(2,3)17-12-16(18(24-17)19(25)27-4)23-20(26)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,24H,1-4H3,(H2,22,23,26)