2-methylbutyl 2-azanyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 2-methylbutyl 2-azanyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2-oxolanylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(tetrahydrofurfuryl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4CCCO4)N

Isomeric SMILES

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4CCCO4)N

InChI

InChI=1S/C21H26N4O3/c1-3-13(2)12-28-21(26)17-18-20(24-16-9-5-4-8-15(16)23-18)25(19(17)22)11-14-7-6-10-27-14/h4-5,8-9,13-14H,3,6-7,10-12,22H2,1-2H3