(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]-3-phenyl-propionic acid Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6/c1-4-5-11-19-15-23(28)33-24-16(2)22(13-12-20(19)24)32-17(3)25(29)27-21(26(30)31)14-18-9-7-6-8-10-18/h6-10,12-13,15,17,21H,4-5,11,14H2,1-3H3,(H,27,29)(H,30,31)/t17?,21-/m0/s1