(2R)-2-azaniumyl-7-[[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]amino]heptanoate

Systemtic Name: (2R)-2-azaniumyl-7-[[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]amino]heptanoate Openeye Name: (2R)-2-azaniumyl-7-[[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]amino]heptanoate CAS Name: (2R)-2-ammonio-7-[[2-(4-methoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]heptanoate IUPAC Name: (2R)-2-azaniumyl-7-[[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]amino]heptanoate Traditional Name: (2R)-2-ammonio-7-[[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]amino]enanthate Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=NCCCCCC(C(=O)[O-])[NH3+])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=NCCCCC[C@H](C(=O)[O-])[NH3+])C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H28N2O4/c1-16-7-12-22-19(14-16)21(26-13-5-3-4-6-20(25)24(27)28)15-23(30-22)17-8-10-18(29-2)11-9-17/h7-12,14-15,20H,3-6,13,25H2,1-2H3,(H,27,28)/t20-/m1/s1