2-[[6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]methoxy]ethanoic acid

Systemtic Name: 2-[[6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]methoxy]ethanoic acid Openeye Name: 2-[[6-ethyl-4-hydroxy-3-(1-methylbenzimidazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]methoxy]acetic acid CAS Name: 2-[[6-ethyl-4-hydroxy-3-(1-methyl-2-benzimidazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-yl]methoxy]acetic acid IUPAC Name: 2-[[6-ethyl-4-hydroxy-3-(1-methylbenzimidazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]methoxy]acetic acid Traditional Name: 2-[[6-ethyl-4-hydroxy-7-keto-3-(1-methylbenzimidazol-2-yl)-5,6,8,8a-tetrahydrochromen-2-yl]methoxy]acetic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)COCC(=O)O)C3=NC4=CC=CC=C4N3C)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)COCC(=O)O)C3=NC4=CC=CC=C4N3C)O

InChI

InChI=1S/C22H24N2O6/c1-3-12-8-13-17(9-16(12)25)30-18(10-29-11-19(26)27)20(21(13)28)22-23-14-6-4-5-7-15(14)24(22)2/h4-7,12,17,28H,3,8-11H2,1-2H3,(H,26,27)