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

Systemtic Name: 3-azanyl-2-[7-(3-ethyl-2-methyl-4-oxidanyl-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-methyl-phenoxy)-6-methyl-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-2-methylphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-2-methylphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-2-methyl-phenoxy)-6-methyl-indan-4-yl]-3-keto-propionic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C)OC2=C(C=C(C3=C2CCC3)C(C(=O)N)C(=O)O)C)O

Isomeric SMILES

CCC1=C(C=CC(=C1C)OC2=C(C=C(C3=C2CCC3)C(C(=O)N)C(=O)O)C)O

InChI

InChI=1S/C22H25NO5/c1-4-13-12(3)18(9-8-17(13)24)28-20-11(2)10-16(14-6-5-7-15(14)20)19(21(23)25)22(26)27/h8-10,19,24H,4-7H2,1-3H3,(H2,23,25)(H,26,27)