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

Systemtic Name: 2-methylpropyl 2-azanyl-1-[2-(3,4-diethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isobutyl 2-amino-1-[2-(3,4-diethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[2-(3,4-diethoxyphenyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-amino-1-[2-(3,4-diethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[2-(3,4-diethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isobutyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC(C)C)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC(C)C)N)OCC

InChI

InChI=1S/C27H32N4O4/c1-5-33-21-12-11-18(15-22(21)34-6-2)13-14-31-25(28)23(27(32)35-16-17(3)4)24-26(31)30-20-10-8-7-9-19(20)29-24/h7-12,15,17H,5-6,13-14,16,28H2,1-4H3