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

Systemtic Name: ethyl 3-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-ylcarbonylamino)benzoate Openeye Name: ethyl 3-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carbonylamino)benzoate CAS Name: 3-[[2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl(oxo)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carbonylamino)benzoate Traditional Name: 3-(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(=CC=C1)NC(=O)N2CC3CCCN3C4=CC=CC=C42

Isomeric SMILES

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

InChI

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