methyl 5-[(4-methoxy-3-oxidanyl-phenyl)methylamino]-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-[(4-methoxy-3-oxidanyl-phenyl)methylamino]-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-hydroxy-4-methoxy-phenyl)methylamino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(3-hydroxy-4-methoxy-benzyl)amino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C30H32N4O6 MolecularWeight: 544.59828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCCO5)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCCO5)O

InChI

InChI=1S/C30H32N4O6/c1-38-24-11-10-20(15-23(24)35)17-31-21-16-22-26(33-29(36)25-9-6-14-40-25)27(30(37)39-2)34(28(22)32-18-21)13-12-19-7-4-3-5-8-19/h3-5,7-8,10-11,15-16,18,25,31,35H,6,9,12-14,17H2,1-2H3,(H,33,36)