2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-1-benzopyran-4-ylidene]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-6-ethylchromen-4-ylidene]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]-4-methyl-valeric acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=NC(CC(C)C)C(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=NC(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)