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

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-4-yl]oxymethylphosphonic acid Openeye Name: [3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxymethylphosphonic acid CAS Name: [3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]oxymethylphosphonic acid IUPAC Name: [3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-4-yl]oxymethylphosphonic acid Traditional Name: [3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxymethylphosphonic acid Formula: C19H21N2O5P MolecularWeight: 388.354201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCP(=O)(O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C19H21N2O5P/c1-13-15(10-18(20)22)19-16(21(13)11-14-6-3-2-4-7-14)8-5-9-17(19)26-12-27(23,24)25/h2-9H,10-12H2,1H3,(H2,20,22)(H2,23,24,25)