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

Systemtic Name: 3-azanyl-2-[6-methyl-7-(4-oxidanyl-3-phenethyl-phenoxy)-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-amino-2-[7-(4-hydroxy-3-phenethyl-phenoxy)-6-methyl-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-(4-hydroxy-3-phenethylphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-(4-hydroxy-3-phenethylphenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(4-hydroxy-3-phenethyl-phenoxy)-6-methyl-indan-4-yl]-3-keto-propionic acid Formula: C27H27NO5 MolecularWeight: 445.50698

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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)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(CCC2)C(=C1)C(C(=O)N)C(=O)O)OC3=CC(=C(C=C3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27NO5/c1-16-14-22(24(26(28)30)27(31)32)20-8-5-9-21(20)25(16)33-19-12-13-23(29)18(15-19)11-10-17-6-3-2-4-7-17/h2-4,6-7,12-15,24,29H,5,8-11H2,1H3,(H2,28,30)(H,31,32)