methyl 2-[4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]phenoxy]acetate CAS Name: 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]phenoxy]acetate Traditional Name: 2-[4-[(4S)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]phenoxy]acetic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC(=O)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC(=O)OC)C(=O)C1)C

InChI

InChI=1S/C21H22N2O5/c1-21(2)8-15(24)19-16(9-21)28-20(23)14(10-22)18(19)12-4-6-13(7-5-12)27-11-17(25)26-3/h4-7,18H,8-9,11,23H2,1-3H3/t18-/m0/s1