nonyl 2-azanyl-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: nonyl 2-azanyl-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-benzyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-benzyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c1-2-3-4-5-6-7-13-18-33-27(32)23-24-26(30-22-17-12-11-16-21(22)29-24)31(25(23)28)19-20-14-9-8-10-15-20/h8-12,14-17H,2-7,13,18-19,28H2,1H3