octyl 2-azanyl-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: octyl 2-azanyl-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: octyl 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-[oxo(propoxy)methyl]phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid octyl ester IUPAC Name: octyl 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid octyl ester Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OCCC)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OCCC)N

InChI

InChI=1S/C29H34N4O4/c1-3-5-6-7-8-11-19-37-29(35)24-25-27(32-23-13-10-9-12-22(23)31-25)33(26(24)30)21-16-14-20(15-17-21)28(34)36-18-4-2/h9-10,12-17H,3-8,11,18-19,30H2,1-2H3