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

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-4-yl]-2-oxo-acetic acid CAS Name: 2-[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]-2-oxoacetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-4-yl]-2-oxoacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-4-yl]-2-keto-acetic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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