[1-[3-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid

Systemtic Name: [1-[3-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[1-benzyl-3-(2-ethoxy-2-oxo-ethyl)indol-5-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[3-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-5-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[1-benzyl-3-(2-ethoxy-2-oxoethyl)indol-5-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[1-benzyl-3-(2-ethoxy-2-keto-ethyl)indol-5-yl]-3-keto-propyl]phosphonic acid Formula: C22H24NO6P MolecularWeight: 429.402821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN(C2=C1C=C(C=C2)C(CC=O)P(=O)(O)O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CN(C2=C1C=C(C=C2)C(CC=O)P(=O)(O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24NO6P/c1-2-29-22(25)13-18-15-23(14-16-6-4-3-5-7-16)20-9-8-17(12-19(18)20)21(10-11-24)30(26,27)28/h3-9,11-12,15,21H,2,10,13-14H2,1H3,(H2,26,27,28)