propyl 4-[2-azanyl-3-(3-propan-2-yloxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: propyl 4-[2-azanyl-3-(3-propan-2-yloxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: propyl 4-[2-amino-3-(3-isopropoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[oxo-(3-propan-2-yloxypropylamino)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[2-amino-3-(3-propan-2-yloxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(3-isopropoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid propyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCOC(C)C)N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCOC(C)C)N

InChI

InChI=1S/C27H31N5O4/c1-4-15-36-27(34)18-10-12-19(13-11-18)32-24(28)22(26(33)29-14-7-16-35-17(2)3)23-25(32)31-21-9-6-5-8-20(21)30-23/h5-6,8-13,17H,4,7,14-16,28H2,1-3H3,(H,29,33)