(2S)-2-[3-(4,11-dimethyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[3-(4,11-dimethyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-(2-keto-4,11-dimethyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-methyl-butyrate Formula: C25H28NO6- MolecularWeight: 438.49292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C25H29NO6/c1-12(2)21(24(28)29)26-20(27)10-9-15-13(3)17-11-18-16-7-5-6-8-19(16)31-23(18)14(4)22(17)32-25(15)30/h11-12,21H,5-10H2,1-4H3,(H,26,27)(H,28,29)/p-1/t21-/m0/s1