3-azanyl-2-[6-methyl-7-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]-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-phenyl)methyl]-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-amino-2-[7-[(4-hydroxy-3-isopropyl-phenyl)methyl]-6-methyl-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(4-hydroxy-3-isopropyl-benzyl)-6-methyl-indan-4-yl]-3-keto-propionic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CCC2)C(=C1)C(C(=O)N)C(=O)O)CC3=CC(=C(C=C3)O)C(C)C

Isomeric SMILES

CC1=C(C2=C(CCC2)C(=C1)C(C(=O)N)C(=O)O)CC3=CC(=C(C=C3)O)C(C)C

InChI

InChI=1S/C23H27NO4/c1-12(2)17-10-14(7-8-20(17)25)11-18-13(3)9-19(16-6-4-5-15(16)18)21(22(24)26)23(27)28/h7-10,12,21,25H,4-6,11H2,1-3H3,(H2,24,26)(H,27,28)