sodium 2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl 4-phenylbenzoate

Systemtic Name: sodium 2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl 4-phenylbenzoate Openeye Name: sodium 2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl 4-phenylbenzoate CAS Name: sodium 4-phenylbenzoic acid 2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl ester IUPAC Name: sodium 2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl 4-phenylbenzoate Traditional Name: sodium 4-phenylbenzoic acid 2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl ester Formula: C22H22N2NaO3+ MolecularWeight: 385.41145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCNCC(C3=CN=CC=C3)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCNCC(C3=CN=CC=C3)O.[Na+]

InChI

InChI=1S/C22H22N2O3.Na/c25-21(20-7-4-12-23-15-20)16-24-13-14-27-22(26)19-10-8-18(9-11-19)17-5-2-1-3-6-17;/h1-12,15,21,24-25H,13-14,16H2;/q;+1