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

Systemtic Name: methyl 5-[(3-hydroxyphenyl)methylamino]-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-hydroxyphenyl)methylamino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(3-hydroxyphenyl)methylamino]-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-hydroxyphenyl)methylamino]-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(3-hydroxybenzyl)amino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC(=CC=C4)O)NC(=O)C5CCCO5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CC(=CC=C4)O)NC(=O)C5CCCO5

InChI

InChI=1S/C29H30N4O5/c1-37-29(36)26-25(32-28(35)24-11-6-14-38-24)23-16-21(30-17-20-9-5-10-22(34)15-20)18-31-27(23)33(26)13-12-19-7-3-2-4-8-19/h2-5,7-10,15-16,18,24,30,34H,6,11-14,17H2,1H3,(H,32,35)