pentyl 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-homoveratryl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C26H30N4O4/c1-4-5-8-15-34-26(31)22-23-25(29-19-10-7-6-9-18(19)28-23)30(24(22)27)14-13-17-11-12-20(32-2)21(16-17)33-3/h6-7,9-12,16H,4-5,8,13-15,27H2,1-3H3