(2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]azaniumyl-3-methyl-butanoate

Systemtic Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]azaniumyl-3-methyl-butanoate Openeye Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]ammonio-3-methyl-butanoate CAS Name: (2R)-2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-1-benzopyran-4-ylidene]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethylchromen-4-ylidene]azaniumyl-3-methylbutanoate Traditional Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]ammonio-3-methyl-butyrate Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=[NH+]C(C(C)C)C(=O)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=[NH+][C@H](C(C)C)C(=O)[O-])C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H27NO5/c1-6-15-7-9-19-17(11-15)18(25-23(14(2)3)24(26)27)13-21(30-19)16-8-10-20(28-4)22(12-16)29-5/h7-14,23H,6H2,1-5H3,(H,26,27)/t23-/m1/s1