[1-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-(phenylmethyl)indol-6-yl]-3-oxidanylidene-propyl]phosphonic acid

Systemtic Name: [1-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-(phenylmethyl)indol-6-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[1-(2-amino-2-oxo-ethyl)-3-benzyl-2-ethyl-indol-6-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[1-(2-amino-2-oxoethyl)-2-ethyl-3-(phenylmethyl)-6-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[1-(2-amino-2-oxoethyl)-3-benzyl-2-ethylindol-6-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[1-(2-amino-2-keto-ethyl)-3-benzyl-2-ethyl-indol-6-yl]-3-keto-propyl]phosphonic acid Formula: C22H25N2O5P MolecularWeight: 428.418061

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)C(CC=O)P(=O)(O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)C(CC=O)P(=O)(O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N2O5P/c1-2-19-18(12-15-6-4-3-5-7-15)17-9-8-16(21(10-11-25)30(27,28)29)13-20(17)24(19)14-22(23)26/h3-9,11,13,21H,2,10,12,14H2,1H3,(H2,23,26)(H2,27,28,29)