3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-4-prop-2-enyl-indol-5-yl]oxypropylphosphonic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-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-6-methyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-4-prop-2-enyl-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-6-methyl-4-prop-2-enylindol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[4-allyl-3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]oxypropylphosphonic acid Formula: C26H33N2O5P MolecularWeight: 484.524381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N2O5P/c1-4-10-20-25-21(16-24(27)29)22(5-2)28(17-19-11-7-6-8-12-19)23(25)15-18(3)26(20)33-13-9-14-34(30,31)32/h4,6-8,11-12,15H,1,5,9-10,13-14,16-17H2,2-3H3,(H2,27,29)(H2,30,31,32)