3-[4-[1-azanyl-3-(3,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[1-azanyl-3-(3,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[2-amino-1-[(3,4-dimethoxyphenyl)methyl]-2-oxo-ethyl]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[1-amino-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[1-amino-3-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-(2-amino-2-keto-1-veratryl-ethyl)phenyl]-1-ethyl-propyl]phosphonic acid Formula: C22H30NO6P MolecularWeight: 435.450461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)C(=O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)C(=O)N)P(=O)(O)O

InChI

InChI=1S/C22H30NO6P/c1-5-22(6-2,30(25,26)27)17-10-8-16(9-11-17)18(21(23)24)13-15-7-12-19(28-3)20(14-15)29-4/h7-12,14,18H,5-6,13H2,1-4H3,(H2,23,24)(H2,25,26,27)