3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-4-prop-2-enyl-indol-5-yl]oxypropylphosphonic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-4-prop-2-enyl-indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[4-allyl-3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-prop-2-enyl-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-4-prop-2-enylindol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[4-allyl-3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-5-yl]oxypropylphosphonic acid Formula: C25H31N2O5P MolecularWeight: 470.497801

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2CC=C)OCCCP(=O)(O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2CC=C)OCCCP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C25H31N2O5P/c1-3-9-19-23(32-14-8-15-33(29,30)31)13-12-22-25(19)20(16-24(26)28)21(4-2)27(22)17-18-10-6-5-7-11-18/h3,5-7,10-13H,1,4,8-9,14-17H2,2H3,(H2,26,28)(H2,29,30,31)