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

Systemtic Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]azaniumyl-4-methyl-pentanoate Openeye Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]ammonio-4-methyl-pentanoate CAS Name: (2R)-2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-1-benzopyran-4-ylidene]ammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethylchromen-4-ylidene]azaniumyl-4-methylpentanoate Traditional Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]ammonio-4-methyl-valerate Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-6-16-7-9-21-18(12-16)19(26-20(25(27)28)11-15(2)3)14-23(31-21)17-8-10-22(29-4)24(13-17)30-5/h7-10,12-15,20H,6,11H2,1-5H3,(H,27,28)/t20-/m1/s1