2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]-3-phenyl-propionic acid Formula: C29H35NO6 MolecularWeight: 493.5913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C)OC1=O)C

InChI

InChI=1S/C29H35NO6/c1-5-6-7-11-14-23-18(2)22-15-16-25(19(3)26(22)36-29(23)34)35-20(4)27(31)30-24(28(32)33)17-21-12-9-8-10-13-21/h8-10,12-13,15-16,20,24H,5-7,11,14,17H2,1-4H3,(H,30,31)(H,32,33)