methyl 1-(2-methoxyethyl)-5-(6-methylhept-5-en-2-ylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-(2-methoxyethyl)-5-(6-methylhept-5-en-2-ylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(1,5-dimethylhex-4-enylamino)-1-(2-methoxyethyl)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-(2-methoxyethyl)-5-(6-methylhept-5-en-2-ylamino)-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methoxyethyl)-5-(6-methylhept-5-en-2-ylamino)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(1,5-dimethylhex-4-enylamino)-3-(hydrocinnamoylamino)-1-(2-methoxyethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)NC1=CN=C2C(=C1)C(=C(N2CCOC)C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(CCC=C(C)C)NC1=CN=C2C(=C1)C(=C(N2CCOC)C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C29H38N4O4/c1-20(2)10-9-11-21(3)31-23-18-24-26(32-25(34)15-14-22-12-7-6-8-13-22)27(29(35)37-5)33(16-17-36-4)28(24)30-19-23/h6-8,10,12-13,18-19,21,31H,9,11,14-17H2,1-5H3,(H,32,34)