3-azanyl-2-[7-(3-ethyl-4-oxidanyl-2-phenethyloxy-phenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-azanyl-2-[7-(3-ethyl-4-oxidanyl-2-phenethyloxy-phenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-2-phenethyloxy-phenoxy)-6-methyl-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-2-phenethyloxyphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-2-phenethyloxyphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-2-phenethyloxy-phenoxy)-6-methyl-indan-4-yl]-3-keto-propionic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OCCC2=CC=CC=C2)OC3=C(C=C(C4=C3CCC4)C(C(=O)N)C(=O)O)C)O

Isomeric SMILES

CCC1=C(C=CC(=C1OCCC2=CC=CC=C2)OC3=C(C=C(C4=C3CCC4)C(C(=O)N)C(=O)O)C)O

InChI

InChI=1S/C29H31NO6/c1-3-19-23(31)12-13-24(27(19)35-15-14-18-8-5-4-6-9-18)36-26-17(2)16-22(20-10-7-11-21(20)26)25(28(30)32)29(33)34/h4-6,8-9,12-13,16,25,31H,3,7,10-11,14-15H2,1-2H3,(H2,30,32)(H,33,34)