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

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-cyclopropyl-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-cyclopropyl-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-cyclopropylindol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]oxypropylphosphonic acid Formula: C23H27N2O5P MolecularWeight: 442.444641

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)OCCCP(=O)(O)O)CC(=O)N

Isomeric SMILES

C1CC1C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)OCCCP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C23H27N2O5P/c24-22(26)14-20-19-13-18(30-11-4-12-31(27,28)29)9-10-21(19)25(23(20)17-7-8-17)15-16-5-2-1-3-6-16/h1-3,5-6,9-10,13,17H,4,7-8,11-12,14-15H2,(H2,24,26)(H2,27,28,29)