2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)propanoylamino]-3-methyl-valeric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C2=C(C(=C(C=C2)OC)C)OC1=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C2=C(C(=C(C=C2)OC)C)OC1=O)C

InChI

InChI=1S/C21H27NO6/c1-6-11(2)18(20(24)25)22-17(23)10-8-15-12(3)14-7-9-16(27-5)13(4)19(14)28-21(15)26/h7,9,11,18H,6,8,10H2,1-5H3,(H,22,23)(H,24,25)