ethyl 4-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-ylcarbonylamino)benzoate

Systemtic Name: ethyl 4-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carbonylamino)benzoate CAS Name: 4-[[2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl(oxo)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carbonylamino)benzoate Traditional Name: 4-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carbonylamino)benzoic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC3CCCN3C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC3CCCN3C4=CC=CC=C42

InChI

InChI=1S/C21H23N3O3/c1-2-27-20(25)15-9-11-16(12-10-15)22-21(26)24-14-17-6-5-13-23(17)18-7-3-4-8-19(18)24/h3-4,7-12,17H,2,5-6,13-14H2,1H3,(H,22,26)