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

Systemtic Name: methyl 5-[(4-ethylphenyl)methylamino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(4-ethylphenyl)methylamino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(4-ethylphenyl)methylamino]-1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethylphenyl)methylamino]-1-methyl-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(4-ethylbenzyl)amino]-3-(hydrocinnamoylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3/c1-4-19-10-12-21(13-11-19)17-29-22-16-23-25(26(28(34)35-3)32(2)27(23)30-18-22)31-24(33)15-14-20-8-6-5-7-9-20/h5-13,16,18,29H,4,14-15,17H2,1-3H3,(H,31,33)