methyl 3-benzamido-5-(5-methylhex-5-en-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-5-(5-methylhex-5-en-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(1,4-dimethylpent-4-enylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(5-methylhex-5-en-2-ylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(5-methylhex-5-en-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(1,4-dimethylpent-4-enylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=C)C)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CCC(=C)C)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O4/c1-18(2)12-13-19(3)30-21-15-23-24(31-27(33)20-9-6-5-7-10-20)25(28(34)35-4)32(26(23)29-16-21)17-22-11-8-14-36-22/h5-7,9-10,15-16,19,22,30H,1,8,11-14,17H2,2-4H3,(H,31,33)