3-[4-[1-(diethoxyphosphorylamino)propan-2-yl]phenyl]benzoic acid

Systemtic Name: 3-[4-[1-(diethoxyphosphorylamino)propan-2-yl]phenyl]benzoic acid Openeye Name: 3-[4-[2-(diethoxyphosphorylamino)-1-methyl-ethyl]phenyl]benzoic acid CAS Name: 3-[4-[1-(diethoxyphosphorylamino)propan-2-yl]phenyl]benzoic acid IUPAC Name: 3-[4-[1-(diethoxyphosphorylamino)propan-2-yl]phenyl]benzoic acid Traditional Name: 3-[4-[2-(diethoxyphosphorylamino)-1-methyl-ethyl]phenyl]benzoic acid Formula: C20H26NO5P MolecularWeight: 391.397901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NCC(C)C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(NCC(C)C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O)OCC

InChI

InChI=1S/C20H26NO5P/c1-4-25-27(24,26-5-2)21-14-15(3)16-9-11-17(12-10-16)18-7-6-8-19(13-18)20(22)23/h6-13,15H,4-5,14H2,1-3H3,(H,21,24)(H,22,23)