sodium 2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: sodium 2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: sodium 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: sodium 2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: sodium 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate Traditional Name: sodium 2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-phenyl-propionate Formula: C20H17ClNNaO6 MolecularWeight: 425.79485

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C20H18ClNO6.Na/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11;/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26);/q;+1/p-1