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

Systemtic Name: ethyl (2S)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C22H22ClNO7 MolecularWeight: 447.86558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl

InChI

InChI=1S/C22H22ClNO7/c1-3-30-21(28)17(9-12-4-6-13(25)7-5-12)24-20(27)15-10-16(23)14-8-11(2)31-22(29)18(14)19(15)26/h4-7,10-11,17,25-26H,3,8-9H2,1-2H3,(H,24,27)/t11?,17-/m0/s1