2-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-3-(phenylmethyl)indol-7-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-3-(phenylmethyl)indol-7-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-(2-amino-2-oxo-ethyl)-3-benzyl-2-methyl-indol-7-yl]-2-oxo-acetic acid CAS Name: 2-[1-(2-amino-2-oxoethyl)-2-methyl-3-(phenylmethyl)-7-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-(2-amino-2-oxoethyl)-3-benzyl-2-methylindol-7-yl]-2-oxoacetic acid Traditional Name: 2-[1-(2-amino-2-keto-ethyl)-3-benzyl-2-methyl-indol-7-yl]-2-keto-acetic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)N)C(=CC=C2)C(=O)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)N)C(=CC=C2)C(=O)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4/c1-12-16(10-13-6-3-2-4-7-13)14-8-5-9-15(19(24)20(25)26)18(14)22(12)11-17(21)23/h2-9H,10-11H2,1H3,(H2,21,23)(H,25,26)