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

Systemtic Name: 3-azanyl-2-[6-methyl-7-(4-oxidanyl-3-propan-2-yl-phenoxy)-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-amino-2-[7-(4-hydroxy-3-isopropyl-phenoxy)-6-methyl-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-(4-hydroxy-3-propan-2-ylphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-(4-hydroxy-3-propan-2-ylphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(4-hydroxy-3-isopropyl-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:

CC1=C(C2=C(CCC2)C(=C1)C(C(=O)N)C(=O)O)OC3=CC(=C(C=C3)O)C(C)C

Isomeric SMILES

CC1=C(C2=C(CCC2)C(=C1)C(C(=O)N)C(=O)O)OC3=CC(=C(C=C3)O)C(C)C

InChI

InChI=1S/C22H25NO5/c1-11(2)16-10-13(7-8-18(16)24)28-20-12(3)9-17(14-5-4-6-15(14)20)19(21(23)25)22(26)27/h7-11,19,24H,4-6H2,1-3H3,(H2,23,25)(H,26,27)