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

Systemtic Name: (2S)-2-[[(3R)-5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(3R)-5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[(3R)-5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(3R)-5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(3R)-5-chloro-1-keto-3-methyl-isochroman-7-carbonyl]amino]-3-phenyl-propionic acid Formula: C20H18ClNO5 MolecularWeight: 387.81362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO5/c1-11-7-14-15(20(26)27-11)9-13(10-16(14)21)18(23)22-17(19(24)25)8-12-5-3-2-4-6-12/h2-6,9-11,17H,7-8H2,1H3,(H,22,23)(H,24,25)/t11-,17+/m1/s1