2-azanyl-3-[2-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-[(4-hydroxy-3-isopropyl-phenyl)methyl]-2-methyl-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methyl-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(4-hydroxy-3-isopropyl-benzyl)-2-methyl-indol-3-yl]propionic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)O)C(C)C)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)O)C(C)C)CC(C(=O)O)N

InChI

InChI=1S/C22H26N2O3/c1-13(2)17-10-15(8-9-21(17)25)12-24-14(3)18(11-19(23)22(26)27)16-6-4-5-7-20(16)24/h4-10,13,19,25H,11-12,23H2,1-3H3,(H,26,27)