[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C21H27NO6/c1-13(2)9-10-22-19(23)12-27-20(24)8-7-17-14(3)16-6-5-15(26-4)11-18(16)28-21(17)25/h5-6,11,13H,7-10,12H2,1-4H3,(H,22,23)