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

Systemtic Name: 3-azanyl-2-[7-(3-ethyl-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-phenoxy)-6-methyl-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-(3-ethyl-4-hydroxyphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-(3-ethyl-4-hydroxyphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(3-ethyl-4-hydroxy-phenoxy)-6-methyl-indan-4-yl]-3-keto-propionic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC2=C(C=C(C3=C2CCC3)C(C(=O)N)C(=O)O)C)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OC2=C(C=C(C3=C2CCC3)C(C(=O)N)C(=O)O)C)O

InChI

InChI=1S/C21H23NO5/c1-3-12-10-13(7-8-17(12)23)27-19-11(2)9-16(14-5-4-6-15(14)19)18(20(22)24)21(25)26/h7-10,18,23H,3-6H2,1-2H3,(H2,22,24)(H,25,26)