pentyl 2-(3-phenylprop-2-enoylamino)-1-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-(3-phenylprop-2-enoylamino)-1-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-allyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylprop-2-enyl)amino]-1-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(3-phenylprop-2-enoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-allyl-2-cinnamamido-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC=C)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC=C)NC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3/c1-3-5-11-19-35-28(34)24-25-27(30-22-15-10-9-14-21(22)29-25)32(18-4-2)26(24)31-23(33)17-16-20-12-7-6-8-13-20/h4,6-10,12-17H,2-3,5,11,18-19H2,1H3,(H,31,33)