(2S)-2-[[(3R)-5-chloranyl-8-methoxy-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(3R)-5-chloranyl-8-methoxy-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(3R)-5-chloro-1-keto-8-methoxy-3-methyl-isochroman-7-carbonyl]amino]-3-phenyl-propionic acid Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)OC)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)OC)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C21H20ClNO6/c1-11-8-13-15(22)10-14(18(28-2)17(13)21(27)29-11)19(24)23-16(20(25)26)9-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3,(H,23,24)(H,25,26)/t11-,16+/m1/s1