2-[2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-valeric acid Formula: C21H25ClN2O7 MolecularWeight: 452.8854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CNC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CNC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

InChI

InChI=1S/C21H25ClN2O7/c1-5-10(2)19(20(27)28)24-18(26)9-23-17(25)7-13-11(3)12-6-14(22)16(30-4)8-15(12)31-21(13)29/h6,8,10,19H,5,7,9H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)