butyl 4-[2-azanyl-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: butyl 4-[2-azanyl-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: butyl 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(3-ethoxypropylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid butyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCOCC)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCOCC)N

InChI

InChI=1S/C27H31N5O4/c1-3-5-17-36-27(34)18-11-13-19(14-12-18)32-24(28)22(26(33)29-15-8-16-35-4-2)23-25(32)31-21-10-7-6-9-20(21)30-23/h6-7,9-14H,3-5,8,15-17,28H2,1-2H3,(H,29,33)