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

Systemtic Name: 3-[6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]propanoate Openeye Name: 3-[6-ethyl-4-hydroxy-3-(1-methylbenzimidazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]propanoate CAS Name: 3-[6-ethyl-4-hydroxy-3-(1-methyl-2-benzimidazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[6-ethyl-4-hydroxy-3-(1-methylbenzimidazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]propanoate Traditional Name: 3-[6-ethyl-4-hydroxy-7-keto-3-(1-methylbenzimidazol-2-yl)-5,6,8,8a-tetrahydrochromen-2-yl]propionate Formula: C22H23N2O5- MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)CCC(=O)[O-])C3=NC4=CC=CC=C4N3C)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)CCC(=O)[O-])C3=NC4=CC=CC=C4N3C)O

InChI

InChI=1S/C22H24N2O5/c1-3-12-10-13-18(11-16(12)25)29-17(8-9-19(26)27)20(21(13)28)22-23-14-6-4-5-7-15(14)24(22)2/h4-7,12,18,28H,3,8-11H2,1-2H3,(H,26,27)/p-1