methyl 5-(1,3-benzodioxol-5-ylmethylamino)-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethylamino)-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethylamino)-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethylamino)-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-5-(piperonylamino)-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C30H30N4O6 MolecularWeight: 542.5824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5)NC(=O)C6CCCO6

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5)NC(=O)C6CCCO6

InChI

InChI=1S/C30H30N4O6/c1-37-30(36)27-26(33-29(35)24-8-5-13-38-24)22-15-21(31-16-20-9-10-23-25(14-20)40-18-39-23)17-32-28(22)34(27)12-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,14-15,17,24,31H,5,8,11-13,16,18H2,1H3,(H,33,35)