2-[5-acetamido-2-methyl-1-(phenylmethyl)indol-3-yl]propanoic acid

Systemtic Name: 2-[5-acetamido-2-methyl-1-(phenylmethyl)indol-3-yl]propanoic acid Openeye Name: 2-(5-acetamido-1-benzyl-2-methyl-indol-3-yl)propanoic acid CAS Name: 2-[5-acetamido-2-methyl-1-(phenylmethyl)-3-indolyl]propanoic acid IUPAC Name: 2-(5-acetamido-1-benzyl-2-methylindol-3-yl)propanoic acid Traditional Name: 2-(5-acetamido-1-benzyl-2-methyl-indol-3-yl)propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC(=O)C)C(C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC(=O)C)C(C)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-13(21(25)26)20-14(2)23(12-16-7-5-4-6-8-16)19-10-9-17(11-18(19)20)22-15(3)24/h4-11,13H,12H2,1-3H3,(H,22,24)(H,25,26)