2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-4-yl]-2-oxo-acetic acid CAS Name: 2-[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]-2-oxoacetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-4-yl]-2-oxoacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-4-yl]-2-keto-acetic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)C(=O)C(=O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)C(=O)C(=O)O)CC(=O)N

InChI

InChI=1S/C21H20N2O4/c1-2-16-15(11-18(22)24)19-14(20(25)21(26)27)9-6-10-17(19)23(16)12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,24)(H,26,27)