ethyl N-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]carbamate

Systemtic Name: ethyl N-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-phenyl-amino]carbamate Openeye Name: ethyl N-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)carbamate CAS Name: N-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)carbamic acid ethyl ester IUPAC Name: ethyl N-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]anilino)carbamate Traditional Name: N-(N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]anilino)carbamic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NN([C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-4-27-20(26)23-24(15-8-6-5-7-9-15)18-16-12-14(13-22)10-11-17(16)28-21(2,3)19(18)25/h5-12,18-19,25H,4H2,1-3H3,(H,23,26)/t18-,19+/m0/s1