2-[[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(1-benzyl-5-methoxy-2-methyl-indole-3-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(1-benzyl-5-methoxy-2-methylindole-3-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(1-benzyl-5-methoxy-2-methyl-indole-3-carbonyl)amino]-3-methyl-butyric acid Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-14(2)21(23(27)28)24-22(26)20-15(3)25(13-16-8-6-5-7-9-16)19-11-10-17(29-4)12-18(19)20/h5-12,14,21H,13H2,1-4H3,(H,24,26)(H,27,28)