(2S,3R)-2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]-3-methyl-valerate Formula: C19H21ClNO6- MolecularWeight: 394.82614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

InChI

InChI=1S/C19H22ClNO6/c1-5-9(2)17(18(23)24)21-16(22)7-12-10(3)11-6-13(20)15(26-4)8-14(11)27-19(12)25/h6,8-9,17H,5,7H2,1-4H3,(H,21,22)(H,23,24)/p-1/t9-,17+/m1/s1