ethyl (3S,4R)-4-(1H-indol-3-yl)-2-methylidene-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl (3S,4R)-4-(1H-indol-3-yl)-2-methylidene-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl (3S,4R)-4-(1H-indol-3-yl)-2-methylene-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (3S,4R)-4-(1H-indol-3-yl)-2-methylene-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(1H-indol-3-yl)-2-methylidene-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (3S,4R)-4-(1H-indol-3-yl)-2-methylene-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2NC1=C)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N2C3=CC=CC=C3N=C2NC1=C)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H20N4O2/c1-3-28-21(27)19-13(2)24-22-25-17-10-6-7-11-18(17)26(22)20(19)15-12-23-16-9-5-4-8-14(15)16/h4-12,19-20,23H,2-3H2,1H3,(H,24,25)/t19-,20+/m1/s1