(2R)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumyl-3-methyl-butanoate

Systemtic Name: (2R)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumyl-3-methyl-butanoate Openeye Name: (2R)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammonio-3-methyl-butanoate CAS Name: (2R)-2-[[2-(4-methoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azaniumyl-3-methylbutanoate Traditional Name: (2R)-2-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammonio-3-methyl-butyrate Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=[NH+]C(C(C)C)C(=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=[NH+][C@H](C(C)C)C(=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO4/c1-13(2)21(22(24)25)23-18-12-20(15-6-8-16(26-4)9-7-15)27-19-10-5-14(3)11-17(18)19/h5-13,21H,1-4H3,(H,24,25)/t21-/m1/s1