2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)OC1=O)C

InChI

InChI=1S/C30H34N2O6/c1-4-5-6-7-10-23-18(2)22-14-13-21(16-27(22)38-30(23)36)37-19(3)28(33)32-26(29(34)35)15-20-17-31-25-12-9-8-11-24(20)25/h8-9,11-14,16-17,19,26,31H,4-7,10,15H2,1-3H3,(H,32,33)(H,34,35)