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

Systemtic Name: ethyl 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC=C2N1C3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC=C2N1[C@H]3[C@@H](C(OC4=C3C=C(C=C4)C#N)(C)C)O

InChI

InChI=1S/C23H22N2O4/c1-4-28-22(27)18-12-15-7-5-6-8-17(15)25(18)20-16-11-14(13-24)9-10-19(16)29-23(2,3)21(20)26/h5-12,20-21,26H,4H2,1-3H3/t20-,21+/m1/s1