methyl 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-2-carboxylate

Systemtic Name: methyl 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-2-carboxylate Openeye Name: methyl 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]indole-2-carboxylate CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]indole-2-carboxylate Traditional Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]indole-2-carboxylic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C4=CC=CC=C4C=C3C(=O)OC)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3C4=CC=CC=C4C=C3C(=O)OC)O)C

InChI

InChI=1S/C22H20N2O4/c1-22(2)20(25)19(15-10-13(12-23)8-9-18(15)28-22)24-16-7-5-4-6-14(16)11-17(24)21(26)27-3/h4-11,19-20,25H,1-3H3/t19-,20+/m1/s1