tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-[(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)carbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-[(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)carbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[[2-morpholino-2-(3-pyridyl)ethyl]carbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[[[2-(4-morpholinyl)-2-(3-pyridinyl)ethyl]amino]-oxomethyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4-[[2-morpholino-2-(3-pyridyl)ethyl]carbamoyl]-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C31H41N5O5 MolecularWeight: 563.68774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC(C2=CN=CC=C2)N3CCOCC3)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC(C2=CN=CC=C2)N3CCOCC3)CNC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H41N5O5/c1-6-24-27(29(37)34-20-26(21-8-7-13-32-18-21)36-14-16-40-17-15-36)25(35-28(24)30(38)41-31(2,3)4)19-33-22-9-11-23(39-5)12-10-22/h7-13,18,26,33,35H,6,14-17,19-20H2,1-5H3,(H,34,37)