tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-(quinolin-2-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-(quinolin-2-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-(2-quinolylmethylcarbamoyl)-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[oxo-(2-quinolinylmethylamino)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-(quinolin-2-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-5-(p-anisidinomethyl)-4-(2-quinolylmethylcarbamoyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC2=NC3=CC=CC=C3C=C2)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC2=NC3=CC=CC=C3C=C2)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N4O4/c1-6-23-26(28(35)32-17-21-12-11-19-9-7-8-10-24(19)33-21)25(34-27(23)29(36)38-30(2,3)4)18-31-20-13-15-22(37-5)16-14-20/h7-16,31,34H,6,17-18H2,1-5H3,(H,32,35)