methyl 3-[(4-methoxyphenyl)carbonylamino]-1-methyl-5-(4-oxidanylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-[(4-methoxyphenyl)carbonylamino]-1-methyl-5-(4-oxidanylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-hydroxy-1-methyl-propyl)amino]-3-[(4-methoxybenzoyl)amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(4-hydroxybutan-2-ylamino)-3-[[(4-methoxyphenyl)-oxomethyl]amino]-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-hydroxybutan-2-ylamino)-3-[(4-methoxybenzoyl)amino]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(3-hydroxy-1-methyl-propyl)amino]-1-methyl-3-(p-anisoylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(CCO)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O5/c1-13(9-10-27)24-15-11-17-18(19(22(29)31-4)26(2)20(17)23-12-15)25-21(28)14-5-7-16(30-3)8-6-14/h5-8,11-13,24,27H,9-10H2,1-4H3,(H,25,28)