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

Systemtic Name: 3-[3-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[1-benzyl-3-(2-hydrazino-2-oxo-ethyl)-2-methyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-hydrazinyl-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[1-benzyl-3-(2-hydrazinyl-2-oxoethyl)-2-methylindol-5-yl]oxypropylphosphonic acid Traditional Name: 3-[1-benzyl-3-(2-hydrazino-2-keto-ethyl)-2-methyl-indol-5-yl]oxypropylphosphonic acid Formula: C21H26N3O5P MolecularWeight: 431.422001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)NN

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)NN

InChI

InChI=1S/C21H26N3O5P/c1-15-18(13-21(25)23-22)19-12-17(29-10-5-11-30(26,27)28)8-9-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14,22H2,1H3,(H,23,25)(H2,26,27,28)