4-[2-azanyl-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid

Systemtic Name: 4-[2-azanyl-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Openeye Name: 4-[2-amino-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid CAS Name: 4-[2-amino-3-[(cyclohexylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 4-[2-amino-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Traditional Name: 4-[2-amino-3-(cyclohexylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Formula: C24H23N5O3 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)C(=O)O)N

InChI

InChI=1S/C24H23N5O3/c25-21-19(23(30)26-15-6-2-1-3-7-15)20-22(28-18-9-5-4-8-17(18)27-20)29(21)16-12-10-14(11-13-16)24(31)32/h4-5,8-13,15H,1-3,6-7,25H2,(H,26,30)(H,31,32)