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

Systemtic Name: methyl 5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(4-hydroxy-3-methoxy-phenyl)methylamino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(4-hydroxy-3-methoxyphenyl)methylamino]-1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-hydroxy-3-methoxyphenyl)methylamino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-1-methyl-5-(vanillylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=CN=C21)NCC3=CC(=C(C=C3)O)OC)NC(=O)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=CC(=CN=C21)NCC3=CC(=C(C=C3)O)OC)NC(=O)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H28N4O5/c1-31-25(27(34)36-3)24(30-23(33)12-10-17-7-5-4-6-8-17)20-14-19(16-29-26(20)31)28-15-18-9-11-21(32)22(13-18)35-2/h4-9,11,13-14,16,28,32H,10,12,15H2,1-3H3,(H,30,33)