sodium 3-azanyl-4-[[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-dihydro-2-benzofuran-5-yl)ethenyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: sodium 3-azanyl-4-[[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-dihydro-2-benzofuran-5-yl)ethenyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: sodium 3-amino-4-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-dihydroisobenzofuran-5-yl)vinyl]anilino]-4-oxo-butanoate CAS Name: sodium 3-amino-4-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-dihydroisobenzofuran-5-yl)ethenyl]anilino]-4-oxobutanoate IUPAC Name: sodium 3-amino-4-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-dihydro-2-benzofuran-5-yl)ethenyl]anilino]-4-oxobutanoate Traditional Name: sodium 3-amino-4-keto-4-[2-methoxy-5-[(Z)-2-(7-methoxyphthalan-5-yl)vinyl]anilino]butyrate Formula: C22H23N2NaO6 MolecularWeight: 434.41759

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC3=C(COC3)C(=C2)OC)NC(=O)C(CC(=O)[O-])N.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\C2=CC3=C(COC3)C(=C2)OC)NC(=O)C(CC(=O)[O-])N.[Na+]

InChI

InChI=1S/C22H24N2O6.Na/c1-28-19-6-5-13(8-18(19)24-22(27)17(23)10-21(25)26)3-4-14-7-15-11-30-12-16(15)20(9-14)29-2;/h3-9,17H,10-12,23H2,1-2H3,(H,24,27)(H,25,26);/q;+1/p-1/b4-3-;