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

Systemtic Name: (2S)-2-[3-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]-3-phenyl-propionate Formula: C28H26NO6- MolecularWeight: 472.50914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)NC(CC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C28H27NO6/c1-16-18(11-12-26(30)29-22(27(31)32)13-17-7-3-2-4-8-17)28(33)35-24-15-25-21(14-20(16)24)19-9-5-6-10-23(19)34-25/h2-4,7-8,14-15,22H,5-6,9-13H2,1H3,(H,29,30)(H,31,32)/p-1/t22-/m0/s1