(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propionate Formula: C25H26NO6- MolecularWeight: 436.47704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C25H27NO6/c1-3-4-10-18-14-23(28)32-24-16(2)21(12-11-19(18)24)31-15-22(27)26-20(25(29)30)13-17-8-6-5-7-9-17/h5-9,11-12,14,20H,3-4,10,13,15H2,1-2H3,(H,26,27)(H,29,30)/p-1/t20-/m0/s1