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

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-[(2-phenylphenyl)methyl]indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-2-methyl-1-[(2-phenylphenyl)methyl]indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-[(2-phenylphenyl)methyl]-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-2-methyl-1-[(2-phenylphenyl)methyl]indol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-2-methyl-1-(2-phenylbenzyl)indol-5-yl]oxypropylphosphonic acid Formula: C27H29N2O5P MolecularWeight: 492.503321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3C4=CC=CC=C4)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3C4=CC=CC=C4)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C27H29N2O5P/c1-19-24(17-27(28)30)25-16-22(34-14-7-15-35(31,32)33)12-13-26(25)29(19)18-21-10-5-6-11-23(21)20-8-3-2-4-9-20/h2-6,8-13,16H,7,14-15,17-18H2,1H3,(H2,28,30)(H2,31,32,33)